1

UNITED STATES ENVIRONMENTAL PROTECTION AGENCY

 WASHINGTON D.C. 20460

 

 

 

OFFICE OF

CHEMICAL SAFETY AND 

 POLLUTION PREVENTION 

 PC Code: 061402

 DP Barcodes: D371759, 371764

 Date: August 30, 2010

MEMORANDUM

Subject: Acibenzolar-s-methyl: Ecological Risk Assessment to Support Proposed 

New Use on Turf and Use as a Seed Treatment on Cotton

To: Tony Kish, Risk Manager

Janet Whitehurst, Risk Manager Reviewer

Registration Division (7505P)

From: Robert A. Miller, Environmental Protection Specialist

Fred Jenkins, Biologist

Environmental Risk Branch I

Environmental Fate and Effects Division (7507P)

Approved Brian Anderson, Acting Branch Chief

By Sujatha Sankula, RAPL

Environmental Risk Branch I

Environmental Fate and Effects Division (7507P)

Attached is the Environmental Fate and Effects Division (EFED) ecological risk

assessment for two newly proposed uses of the fungicide, acibenzolar-s-methyl. This 

assessment provides a screening level new use assessment to support the proposed uses 

of acibenzolar-s-methyl on turf and as a seed treatment on cotton.
2

1. Executive Summary

This ecological risk assessment evaluates the proposed two new uses of acibenzolar-smethyl on turf and as a seed treatment on cotton. 

The first proposed registration is for the Section 3 new use of the Daconil ACTion (EPA 

Reg. No. 100-XXXX, unassigned)) containing the active ingredients chlorothalonil 

(53.94% a.i.) and acibenzolar-s-methyl (0.11% a.i.) for use on turf (sod farms, golf course 

turf, lawns around commercial and industrial buildings, and professional and collegiate 

athletic fields). Chlorothalonil is already registered for the uses included on the proposed 

label. This assessment only evaluates potential ecological effects from acibenzolar-smethyl. Interactive effects from the combined exposure of chlorothalonil and 

acibenzolar-s-methyl are not addressed. The second proposed Section 3 new use 

registration is for the new seed treatment product Bion 500FS (42.0% a.i., EPA Reg. No. 

100-XXXX, unassigned) on cotton. The maximum total seasonal application rates are 

0.14 lbs a.i./acre for turf and 0.0002 lbs a.i./acre for cotton. 

Acibenzolar-s-methyl (benzo(1,2,3)thiadiazole-7-carbothioic acid-S-methyl ester) is a 

selective, systemic compound that belongs to the benzothiadiazole class of fungicides for 

the control of bacterial and fungal pathogens. The chemical works systemically to 

increase enzymes in the plant, which can degrade fungal and bacterial cell walls. The 

physiological process induced by acibenzolar treatment is achieved by the triggering of 

systemic activated resistance (SAR) within plants. This natural resistance can be induced 

biologically whenever a plant is attacked by low levels of pathogen inoculum. 

Acibenzolar-s-methyl (acibenzolar) degrades rapidly by abiotic and biotic processes to its 

principal metabolite, CGA-210007, which is expected to be similar in toxicity to 

acibenzolar; therefore, this ecological exposure assessment addresses both acibenzolar-smethyl and CGA-210007.

1.1 Findings of Previous Assessments

The most recent risk assessment for acibenzolar was a Section 3 new use ecological risk 

assessment for the registration of cucurbits and onions (DP Barcode: D351609+, 

February 12, 2009). Findings of this risk assessment indicated that neither the use of 

acibenzolar nor its major degradate posed risks to non-target organisms at concern levels.
3

1.2 Findings of Currently Proposed Uses

Based upon the available data, this current assessment also concludes that the proposed 

new uses of acibenzolar on turf and as a cotton seed treatment are not expected to pose 

risks to either non-targeted plants or animals that inhabit terrestrial or aquatic 

environments at concern levels to the Agency (Table 1). 

Table 1. Summary of LOC Exceedences for the Proposed New Uses of Acibenzolar Uses on Turf 

and as a Cotton Seed Treatment

Effect

Taxonomic Group

Birds Mammals Terrest.

Plants

Terrest. 

Inverts Fish Aquatic Inverts

Aquatic 

Plants

Direct Effect LOC 

Exceedences

None None None None None None None

Indirect Effect 

Potential

None None None None None None None

2. Scope of Assessment

An abbreviated review was conducted by EFED for the following reasons.

 No new data have been submitted that affect the environmental fate or effects 

conclusions or modeling inputs.

 Proposed application rates, intervals, and seasonal loads are less than previously

approved application rates.

 No new exposure methods have been approved for standard risk assessments 

since the new chemical assessment was performed in 2009.

3. Summary of Proposed Uses 

Daconil ACTion (EPA Reg. No. 100-XXXX, unassigned) is a flowable fungicide 

proposed to be applied as a ground spray for management of bacterial and fungal 

pathogens on turf (sod farms, golf course turf (fairways, tees and greens), lawns around 

commercial and industrial buildings, and professional and collegiate athletic fields).

According to the proposed label, the maximum seasonal application rate on turf is 0.144 

lbs. acibenzolar on golf course greens per season. The label allows for a single maximum 

application of 0.023 lbs. ai of acibenzolar at a minimum application interval of 14 days. 

Applications less than 0.023 lbs ai require a 7 day minimum application interval. The 

proposed label does not specify the maximum number of applications. 

Table 2 summarizes the application rates and methods for the proposed new uses of 

Daconil ACTion on turf.

Table 2. Proposed Ground Application of Acibenzolar on Turf
4

Crop

Single 

Maximum 

Application 

Rate

lbs a.i./A

Number of

Applications 1

Minimum

Application 

Interval 

(days)

Maximum 

Seasonal 

Application Rate 

in

lbs a.i./A/season

Sod Farms 0.023 n/a 7-14 0.026

Turf for

golf 

courses

Group A Turf: golf 

course fairways, lawns 

around commercial and 

industrial buildings, and 

professional and 

collegiate athletic fields

0.023 n/a 7-14 0.052

Group B Turf (Golf 

course tees) 0.023

n/a

7-14 0.104

Group B Turf (Golf 

course greens) 0.023 n/a 7-14 0.144

1 Label does not specify maximum number of applications. 

Bion 500FS (42.0% a.i., EPA Reg. No. 100-XXXX, unassigned) is proposed for seed 

treatment on cotton targeting nematodes and early season fungi. The maximum 

application rate of acibenzolar-s-methyl is 0.0009 mg per seed based on 5,000 seeds per 

pound. The calculated application rate for acibenzolar as a cotton seed treatment is 

0.0002 lbs a.i./A. The calculation for the cotton seed treatment is (0.0009 mg a.i./seed x 

5000 seeds / lb = 4.5 mg a.i. / lb seed; 4.5 mg a.i./lb seed x 18 lbs seed / acre = 81 mg 

a.i./Acre = 0.0002 lbs a.i./Acre). 18 lbs of seed per acre was used as a typical seeding rate 

for cotton. Because of the very low application rate of 0.0002 for the cotton seed 

treatment at the recommended planting depth of 1.5 inches, potential exposure in surface 

water would be much lower than those presented for turf. Because no LOC exceedances 

occurred for turf, the substantially lower application rate of acibenzolar to cotton seeds 

are not modeled in this assessment. 

The proposed and registered uses of acibenzolar, the maximum seasonal application rate 

and target pests are listed in Table 3. 

Table 3. Proposed and Registered Uses of Acibenzolar, Maximum Seasonal 

Application Rates and Target Pests

Crop Maximum Seasonal 

Application Rate 

(lbs. a.i./A)

Targeted Pests

Proposed Uses

Sod Farms 0.026 Dollar spot, leaf spot, melting-out, 

brown blight, brown patch, gray leaf 

spot, red thread, anthracnose, copper 

spot, stem rust (bluegrass), dichondra 

leaf spot (CA only), gray snow mold, 

fusarium, algae

Group A Turf (golf course 

fairways, lawns around 

commercial and industrial 

buildings, and professional and 

collegiate athletic fields)

0.052

Group B Turf: golf course tees 0.104
5

Group B Turf: golf course 

greens) 0.144 

Cotton (seed treatment) 0.00021 Early season diseases and nematodes

Registered Uses

Cole (brassica crops) 0.125 Black rot and downy mildew

Cucurbits 0.50

Downy mildew, powdery mildew, scab, 

bacterial fruit blotch, bacterial leaf spot, 

angular leaf spot

Fruiting vegetables 0.1875 Bacterial leaf spot, bacterial speck

Leafy Vegetables 0.125 Downy mildew

Onions (dry bulb) 0.125 Downy mildew, iris yellow spot, leaf 

blight

Spinach 0.07 Downy mildew, white rust

Tobacco (burly and binder, fluecured and dark) 0.0468 Blue mold

Tomato 0.1875 Bacterial leaf spot, bacterial speck

1 The calculation for the cotton seed treatment is: 0.0009 mg a.i./seed x 5000 seeds / lb = 4.5 mg a.i. / lb 

 seed; 4.5 mg a.i./lb seed x 18 lbs seed /Acre = 81 mg a.i./Acre = 0.0002 lbs a.i./Acre

4. Exposure Characterization

4.1 Environmental Fate and Transport Characterization

Laboratory and field studies indicate that acibenzolar-s-methyl does not have a high 

potential to leach to ground water nor move to surface water based on its short resident 

time in aerobic soil. The primary pathway for the degradation of acibenzolar involves 

cleavage of the thioester to form the carboxylic acid derivative 1,2,3-Benzothiadiazole-7-

carboxylic acid, (CGA 210007). CGA-210007 has a longer soil residence time, lower 

Freundlich Kd adsorption values, and is more soluble than its parent, thereby exhibiting 

greater potential than the parent for lateral and/or vertical movement after application. 

The environmental fate and transport properties of acibenzolar-s-methyl and CGA210007 are listed in Table 4. 

Table 4. Environmental Fate and Transport Properties of Acibenzolar-s-methyl 

and CGA-210007

Parameter Value Reference

Acibenzolar-s-methyl

Chemical Name benzo(1,2,3)thiadiazole-7-carbothioic 

acid-s-methyl ester

MRID 2038993

Molecular Formula C8H6N2OS2 MRID 2038993

Molecular Weight 210.3 g/mol MRID 2038993

Melting Point 132.9oC MRID 2038993

Vapor pressure (25°C) 3.5 x 10-6 mm Hg @ 25oC MRID 2038993

Henry’s Constant 1.26 x 10-7atm m3 mole-1

Solubility (pH 6, 20oC) 7.7 mg/L MRID 2038993

Hydrolysis (t1/2) Stable MRID 44014252

Aqueous Photolysis (t1/2) 0.025 days at pH 7 MRID 44537034

Soil Photolysis (t1/2) 1.0 days MRID 44537035
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Table 4. Environmental Fate and Transport Properties of Acibenzolar-s-methyl 

and CGA-210007

Parameter Value Reference

Acibenzolar-s-methyl

Aerobic Soil Metabolism (t1/2) 0.22 days MRID 44014253

MRID 44537036

Aerobic Aquatic Metabolism (t1/2) 0.63 days MRID 44537038

Anaerobic Soil Metabolism (t1/2) N/A Not required

Anaerobic Aquatic Metabolism (t1/2) 3.98 days MRID 44537037

Koc (median) 1893 ml/g MRID 44014254

CGA-210007

Chemical Name 1,2,3-Benzothiadiazole-7-carboxylic acid Product Chemistry

Molecular formula C7H4N2O2S1 Product Chemistry

Molecular weight 180.2 g/mol Product Chemistry

Vapor pressure (20/25°C) 2.73x 10-7 torr EPI Suite

Henry’s Law Constant 3.42 x 10-11 EPI Suite

Solubility (pH 6, 20oC) 225 mg/L MRID 44537042

Koc 138 ml/g (mean) MRID 44537042

Hydrolysis 0 (Assumed stable) No data

Aqueous Photolysis (t1/2) 0 (Assumed stable) No data

Aerobic Soil Metabolism (t1/2) 16.5 days MRID 44114253

Anaerobic Aquatic Metabolism (t1/2) 0 days (stable) No data

4.2 Degradation

The aerobic soil metabolism (MRID # 44014253) and anaerobic aquatic metabolism 

(MRID #44537037) half lives are 5.3 hours and 4.0 days, respectively. The major 

degradate from the hydrolysis of the ester to the acid in the aerobic soil study is CGA210007 (maximum of 82.57%). The calculated half-life of CGA-210007 in the aerobic 

soil study is 16.5 days. Anaerobic soil metabolism studies were not required.

In the anaerobic aquatic study acibenzolar displayed a biphasic pattern of decline (4 days 

followed by 95 days)(MRID #44537037). CGA-210007 reached a maximum average 

sum of 90.89% of the total dose after one year of incubation. Under anaerobic conditions 

in water, CGA 210007 showed very little degradation by the end of the study (day 360). 

The major routes of degradation include aqueous photolysis (T1/2 = 0.6 hrs, MRID # 

44537034) and photo degradation on soil (T1/2 = 1.0 days, MRID # 44537035). 

Acibenzolar-s-methyl is stable to hydrolysis (MRID #44014252). The hydrolysis studies 

authors extrapolated the half-life to be 23.1 weeks which is well beyond the duration of 

the 30 day study; therefore acibenzolar is considered stable to hydrolysis. The major 

degradate observed in the hydrolysis study was CGA- 210007 (up to 100%). In the soil 

photolysis study CGA 210007 was the major degradate observed (maximum of 60.2%). 

Considerably lesser amounts of CGA 210007 were found in the photolysis in water study

(8.4 percent). The major degradate in the photolysis in water study was CO2 (>33 

percent). 
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Based on limited data regarding the environmental fate of CGA 210007, it is uncertain 

whether this chemical is susceptible to hydrolysis, photolysis, or aerobic aquatic 

metabolism although in the hydrolysis study decline of the CGA 210007 was minimal.

Because degradation by these processes was assumed not to occur (assumed stable in the 

modeling runs), the resulting environmental concentrations may be overestimates.

4.3 Mobility

Adsorption and terrestrial field studies indicate that acibenzolar is not expected to move

below the top 3 inches. Acibenzolar’s Koc values range from 492 – 3288; therefore, it is 

expected to readily sorb to the soil matrix thus reducing the potential for leaching. 

Although acibenzolar would sorb to soils and sediments, degradation is the principal 

impediment to leaching. 

The major degradate, CGA 210007, is more mobile and if it reaches depths below which 

aerobic metabolism is likely, may be found in groundwater due to its substantially longer 

half-life under anaerobic conditions. CGA 210007 showed very little degradation by the 

end of the 360 day anaerobic metabolism study. Based on the batch equilibrium and aged 

soil column leaching studies, CGA 210007 has longer resident field times than the parent 

(aerobic soil half-life at 16.5 days) and is considered moderately mobile (Koc = 138 mg/L, 

mean) under the FAO classification system.

4.4 Bioconcentration

The maximum BCF for Acibenzolar was 199x in the viscera (118X whole fish, 48X 

fillet) reaching steady-state very rapidly (approximately 3 days). Depuration was rapid 

with less than 10 percent of the steady state value reached at day 28. Therefore, 

acibenzolar-s-methyl is not considered highly bioaccumulative.

4.5 Terrestrial Exposures

Exposures to terrestrial plants and animals were modeled by TERRPLANT (Version 

1.2.2.2) and TREX (Version 1.4.1), respectively. Inputs for TREX included the 

maximum seasonal application rates and intervals from Table 5, EFED’s default foliar 

dissipation half-life of 35 days, which was employed in the absence of foliar dissipation 

data. Inputs for TERRPLANT included the maximum seasonal application rates from 

Table 3 and its water solubility (7.7 mg/L) and drift fraction (1%) data as listed in Table 

11. 

Table 5. TREX Input Values Used to Calculate Terrestrial Animal Exposure 

and Risk Quotient Values Based on the Maximum Proposed Use Rate for the 

Use on Turf
8

Use Daconil ACTion Proposed Application 

to Turf

Application Rate

0.144 lbs. a.i./acre (maximum seasonal application 

rate)*

Half-life 35*

Application Interval 0

Maximum # Apps./Year 1

Length of Simulation 1 year

Note: * This value represents EFED’s default foliar half-life value in substitution for the absence of foliar 

dissipation data for acibenzolar. 

Table 6. TERRPLANT Input Parameters Used to Derive EECs.

Input Parameter Daconil ACTion Proposed Application to Turf

Application Rate 0.144 lb. a.i./acre (maximum seasonal application rate)*

Incorporation 1 (default value)

Runoff Fraction 0.01

Drift Fraction 0.01(Ground application),

Tables 7 and 8 provide the estimated terrestrial animal and plant exposure values, 

respectively, based on the proposed maximum proposed use rate for all the proposed 

uses. 

Table 7. Terrestrial Animal Exposure Values Calculated by TREX 

Model Version 1.4.1 Based on the Maximum Proposed Use Rate (10 

application at 0.014 lbs a.i./Acre, 14-day application interval).

 Food Item Daconil ACTion proposed application to turf

Dietary-based Kenaga EECs (ppm)

Short Grass 13.47

Tall Grass 6.18

Broadleaf plants/sm Insects 7.58

Fruits/pods/seeds/lg insects 0.84

Table 8. Terrestrial Plant Exposure Values Calculated By the 

TERRPLANT Model Version 1.2.2.2 Based on the Maximum Proposed 

Use Rate.

Description Daconil ACTion proposed application to turf

Plant EEC

values (lbs a.i./acre)

Runoff to dry areas 0.0014
9

Runoff to semi-aquatic areas 0.014

Spray drift 0.007

Total for dry areas 0.0084

Total for semi-aquatic areas 0.021

5. Aquatic Exposure Assessment

5.1 Monitoring

Monitoring data were not readily available from the U. S. Geological Survey National 

Water Quality Assessment Data Warehouse and other sources at the time of the 

assessment. Therefore, this aquatic exposure assessment is based on the model predicted 

environmental concentrations. 

5.2 Modeling Estimates

Estimated Environmental Concentrations (EECs) for aquatic ecosystems assessments 

were estimated based on EFED’s Tier II aquatic models: PRZM (Pesticide Root Zone 

Model) and EXAMS (EXposure Analysis Modeling System). PRZM is used to simulate 

pesticide transport as a result of runoff and erosion from a 10-ha agricultural field and 

EXAMS considers the environmental fate and transport of pesticides and predicts EECs 

in an adjacent small water body (10,000-m

2

pond, 2 m deep with no outlet), with the 

assumption that the small field is cropped at 100%. The model is designed to estimate 

pesticide concentrations found in water at the edge of the treated field. As such, it 

provides high-end values of the pesticide concentrations that might be found in 

ecologically sensitive environments following pesticide application. The linked PRZMEXAMS modeling system considers multi-year simulations addressing runoff and spray

drift from multiple applications. The location of the field is specific to the crop being 

simulated using site-specific information on the soils, weather, cropping, and 

management factors associated with the scenario. The crop/location scenario is intended 

to represent a high-end exposure site on which the crop is normally grown. Based on 

historical rainfall patterns, the small water body receives multiple runoff events during 

the years simulated. Calculations are carried out with the linkage program shell -

PE5V01.pl - which incorporates the standard scenarios developed by EFED. Additional 

information on these models can be found at: http://www.epa.gov/oppefed1/models/

water/index.htm. The input parameters used in this assessment were selected from the 

environmental fate data submitted by the registrant and in accordance with US EPA-OPP 

EFED water model parameter selection guidelines, Guidance for Selecting Input 

Parameters in Modeling the Environmental Fate and Transport of Pesticides, Version 

2.1, October 22, 2009.

The standard scenarios were developed by EFED to represent nationwide crop coverage 

and high-end vulnerable sites to run-off and erosion and therefore pesticide transport.

The crop/region specificity of the scenarios may require that several regional scenarios be 

run for a given crop depending on the need to capture the most conservative set of results 
10

based on the differences in precipitation and soil characteristics. The CA, FL and PA turf 

scenarios were used in the PRZM/EXAMS for modeling proposed turf uses. The crop 

scenarios and their applications dates are shown in Table 9. The initial application dates 

were selected during wet and warm periods when fungal outbreaks often occur. There is 

uncertainty in selecting application dates for acibenzolar use on turf because of the 

numerous types of fungi acibenzolar targets and the various times and conditions that 

result in a fungal outbreak. 

Table 9. PRZM/EXAMS Aquatic Modeling Scenarios and Initial 

Application Dates for Proposed Acibenzolar-s-methyl Uses on Turf

PRZM Crop Scenario Initial Application Date

CA Turf 03/21

FL Turf 08/20

PA Turf 07/01

The label specifies application rates for four turf groups: Sod Farms, Group A Turf (golf 

course fairways, lawns around commercial and industrial buildings, and professional and 

collegiate athletic fields), Group B Turf (golf course tees and greens). The maximum 

single application rate for each of the turf groups is 0.023 lbs a.i./A at 14 day intervals. 

Applications less than 0.023 lbs ai require a 7 day minimum application interval. The 

proposed label does not specify the maximum number of applications. The number of 

applications for each of the turf groupings is assumed for modeling purposes only. 

The proposed Daconil ACTion label does not specify the maximum number of 

applications. The modeled application rates, application intervals, number of 

applications and maximum seasonal application for each of the four turf groups are 

displayed in Table 10.

Table 10. Acibenzolar-S-methyl Modeled Use for Sod Farms, Golf Courses Turf, 

Lawns around Commercial and Industrial Buildings, and Professional and 

Collegiate Athletic Fields 

Crop Applications

(lbs a.i./A)

Minimum 

Application

Interval

(days)

Number of

Applications

Modeled 1

Maximum 

Seasonal 

Application

(lbs a.i./A)

Daconil ACTion Label

Sod Farms 1

st app. 0.0232

14 2 0.026

2

nd app. 0.003 --

Group A Turf 

(Golf course 

fairways, lawns 

around 

commercial and 

industrial 

buildings, and 

1

st app. 0.0232

14 3 0.052

2

nd app. 0.0145 7
11

professional and 

collegiate 

athletic fields)

3

rd app. 0.0145 --

Group B Turf 

(Golf course 

tees)

1

st app. 0.0232

14 7 0.104

2

nd app. 0.0145 14

Apps. 3-7 

0.0133

7

Group B Turf 

(Golf course 

greens)

1

st app. 0.0232

14 10 0.144

2

nd app. 0.0145 14

Apps 3-10. 

0.0131

7

1 The Daconil ACTion turf label does not specify the maximum number of applications; therefore, the 

 number of applications modeled are assumed. The higher the maximum seasonal application rate the 

 greater the number of applications in PRZM/EXAMS 

 modeling. 

2

Single maximum allowable application per season.

The application rates for CGA-210007 were determined by dividing the molecular weight 

of CGA-210007 (180.2 g/mol) by the molecular weight of acibenzolar-s-methyl (210.3 

g/mol)) and then multiplying the quotient (0.857) by the highest formation rate of CGA210007 in any of the guideline studies for the parent. Since the highest formation of 

CGA 210007 is 100% in the hydrolysis study the quotient is multiplied by 1 to determine

application rates for CGA 210007. Since CGA-210007 is a degradation product, CAM 1 

was used to simulate a surface applied chemical. A spray drift value of 0.0 was inputted 

into PRZM/EXAMX since it is a degradation product. Input parameters used in 

PRZM/EXAMS modeling of acibenzolar-s-methyl and CGA-210007 are shown in Table 

11. EPI Suite was employed to calculate the vapor pressure and Henry’s Law constant 

for CGA 210007. The EPI Suite output file is located in Appendix C.

Table 11. PRZM/EXAMS Input Parameters for Acibenzolar-s-methyl and CGA210007. 

Parameter Value Reference

Acibenzolar-s-methyl

Molecular Weight 210.3 g/mol MRID 2038993

Vapor pressure (20/25°C) 3.5 x 10-6torr MRID 2038993

Solubility (pH 6, 20oC) 7.7 mg/L @ 25 oC MRID 2038993

Henry’s Law Constant 1.26 e-7 m3/mol MRID 2038993

Koc 1893 ml/g (mean) MRID 44014254

CAM 2 Linear foliar based on crop 

canopy (PRZM/EXAMS 

guidelines)

Spray drift Ground: 0.01 PRZM/EXAMS Guidance

Hydrolysis (t1/2) Stable at pH 7 MRID 44014252

Aqueous Photolysis (t1/2) 0.025 days at pH 7 MRID 44537034
12

Table 11. PRZM/EXAMS Input Parameters for Acibenzolar-s-methyl and CGA210007. 

Parameter Value Reference

Aerobic Soil Metabolism (t1/2) 0.66 days (0.22 days x 3, 

PRZM/EXAMS guidelines)

MRID 44014253

MRID 44537036

Aerobic Aquatic Metabolism (t1/2) 0.63 days (0.63 x 3, 

PRZM/EXAMS guidelines) 

MRID 44537038

Anaerobic Aquatic Metabolism (t1/2) 11.94 (3.98 days x 3, 

PRZM/EXAMS guidelines)

MRID 44537037

CGA-210007

Molecular Weight 180.2 g/mol Product Chemistry

Vapor pressure (20/25°C) 2.73 e-7 torr EPI Suite

Solubility (pH 6, 20oC) 225 mg/L MRID 44537042

Henry’s Law Constant 3.42e-11 EPI Suite

Koc 138 ml/g (mean) MRID 44537042

CAM 1 CGA-210007 is a 

metabolite, so it is assumed 

to be applied directly to the 

soil. 

Spray drift 0.0 Degradation product, no 

spray drift

Hydrolysis 0 (stable) No data

Aqueous Photolysis (t1/2) 0 (stable) No data

Aerobic Soil Metabolism (t1/2) 49.5 days (16.5 x 3, 

PRZM/EXAMS guidelines)

MRID 44114253

Aerobic Aquatic Metabolism (t1/2) 99 days (aerobic soil half-life days 

x 2), PRZM/EXAMS guidelines)

PRZM/EXAMS guidelines

Anaerobic Aquatic Metabolism (t1/2) 0 days (stable) No data

The results for the three modeled crop turf scenarios are presented in Table 12. Peak 

EEC values were used to determine acute risks. The 21-day average EEC values were 

used to determine chronic risks to aquatic invertebrates. The 60-day average EEC values 

were used to determine chronic risks to fish. Example PRZM/EXAMS output are 

presented in Appendix B.

Table 12. PRZM/EXAMS EECs for Acibenzolar and CGA-210007 

(μg/L) on Turf 

Crop 

Scenario

Peak EEC 21 day average 60 day average

Aciben

-zolar 

CGA210007Acibenzolar CGA210007

Acibe

nzolar 

CGA210007

Daconil ACTion Label (Ground Spray)

Sod Grass

CA Turf 0.01 0.05 0.002 0.05 0.001 0.05

FL Turf 0.01 0.05 0.001 0.05 0.001 0.04
13

Table 12. PRZM/EXAMS EECs for Acibenzolar and CGA-210007 

(μg/L) on Turf 

PA Turf 0.01 0.07 0.002 0.06 0.001 0.06

Group A Turf: Golf Course Fairways, Lawns around Commercial and 

Industrial Buildings, and Professional and Collegiate Athletic Fields

CA Turf 0.01 0.07 0.003 0.07 0.002 0.06

FL Turf 0.01 0.12 0.002 0.12 0.001 0.11

PA Turf 0.01 0.13 0.002 0.12 0.001 0.11

Group B Turf: Tees

CA Turf 0.01 0.07 0.003 0.07 0.003 0.07

FL Turf 0.03 0.24 0.004 0.22 0.003 0.19

PA Turf 0.03 0.28 0.003 0.27 0.003 0.25

Group B Turf: Greens

CA Turf 0.01 0.07 0.003 0.07 0.003 0.07

FL Turf 0.04 0.33 0.005 0.31 0.003 0.29

PA Turf 0.04 0.49 0.006 0.46 0.003 0.42

6. Ecological Effects Summary

Tables 13, 14 and 15 present the effects measurement endpoints used in the risk 

assessment for acibenzolar and CGA-210007. A more detailed description of the toxicity

data can be found in the previously conducted assessment, DP Barcode: D351609 dated 

February 12, 2009. 

Table 13. Summary of Acute and Chronic Aquatic Toxicity Data Using Acibenzolar

Species

Acute Toxicity Chronic Toxicity

96-hr 

LC50/ 

EC 50

48-hr 

EC50

/LC50

Acute 

Toxi-city 

Classific

ation

MRID No. 

and Study 

Classificati

on

NOAEC Affected

Endpoints

(MRID)

MRID and 

Study 

Classification

Rainbow Trout

(Oncorhynchus 

mykiss)

0.88 

mg 

a.i./L

-------

Highly 

toxic 44537013;

Acceptable

0.026 mg

a.i./L

Growth 

(wet/dry 

weight)

MRID 

44537019

(Acceptable)

Water flea

(Daphnia magna) -------

2.9 mg 

a.i./L

Moderately 

toxic

44537014;

Acceptable

0.048 mg 

a.i./L

length and 

dry weight

MRID 

44537020

(Acceptable)
14

Sheepshead 

minnow

(Cyprinodon 

variegates) 

1.7 mg 

a.i./L -------

Moderately 

toxic 

44537016;

Acceptable ------- ------- -------

Eastern oyster

(Crassostrea 

virginica) 

0.59 

mg 

a.i./L

-------

Highly 

toxic 

44537017;

Acceptable ------- ------- -------

Mysid shrimp

(Americamysis 

bahia)

0.88 

mg 

a.i./L

-------

Highly 

toxic

MRID 

44537018; 

Acceptable

------- ------- -------

Duckweed 

(Lemna gibba)

0.312 

mg 

a.i./L

------- -------

MRID 

44537032;

Acceptable

0.0192 

mg a.i./L ------- -------

FW Algae 

(Selenastrum 

capricornutum)

3.3 mg 

a.i./L ------- ------- -------

1.3 mg 

a.i./L ------- -------

Table 14. CGA-210007 Most Sensitive Values for Aquatic Organisms

Species

Acute Toxicity Chronic Toxicity

96-hr 

LC50/ 

EC 50

48-hr 

EC50

/LC50

Acute 

Toxicity 

Classificati

on

MRID no. and 

Study 

Classification

NOAEC Affected

Endpoints

(MRID)

MRID and 

Study 

Classification

Rainbow Trout

(Oncorhynchus 

mykiss)

LC50 > 

100 mg 

a.i./L

-------

Highly 

toxic MRID 44537012

;Supplemental

------- ------- -------

Water flea

(Daphnia 

magna)

-------

10.3 

mg 

a.i./L

Moderately 

toxic

44537015

Acceptable

------- ------- -------

FW Algae 

(Selenastrum 

capricornutum)

-------

80.1 

mg 

a.i./L

-------

44537031

Acceptable

------- ------- -------

Table 15. Summary of Acute and Chronic Toxicity Data for Terrestrial Organisms Exposed

to Acibenzolar
15

Species

Acute Toxicity Chronic Toxicity

Acute 

Oral

LD50

Acute Oral

Toxicity 

Classificati

on; MRID

Subacute 

Dietary 

5-day

LC50

Subacute 

Dietary 

Classification; 

MRID

NOAEC / 

LOAEC

Affected

Endpoints

(MRID)

Bobwhite 

quail 

>2000

mg/kgbw

Practically 

nontoxic;

445337005

(Acceptable 

study)

> 5000 

mg/kgdiet

Practically 

nontoxic;

44537006

600/1000 

mg/kgdiet

NOEAC was based on a 

significant reduction in 

14-day-old survivor 

weights and the 

percentage of 14-day-old 

hatchling survivors per 

normal hatchlings at the 

1000 ppm level when 

compared to the control.

Mallard duck Practically 

nontoxic; 

445337004

(Acceptable 

study)

Practically 

nontoxic; 

44537008

Not 

determine

d/1000 

mg/kgdiet

Not applicable since the 

NOAEC was not 

determined 

Laboratory rat > 5000 

mg/kgbw

Practically 

nontoxic;

44537007

(Acceptable 

study)

------- ------- ------- -------

Honey bee > 100 

μg/bee 

(acute 

oral); > 

128 

μg/bee 

(acute 

contact)

Practically 

nontoxic;

44537033

(Acceptable 

study) 

------- ------- ------- -------

Terrestrial 

Plants

Seedling emergence: None of the ten species exposed to the rate (105g a.i./ha or 0.094 lb a.i./A) of 

CGA-245704 were affected by 25% or greater when compared to the pooled formulation blank 

control and negative control for each measured parameter; MRID 44537028; Acceptable study 

Vegetative vigor: None of the ten species exposed to the rate (105g a.i./ha or 0.094 lb a.i./A) of CGA245704 were affected by 25% or greater when compared to the pooled formulation blank control and 

negative control for each measured parameter; MRID 44537029; Acceptable study

7. Ecological Risks Summary

7.1 Risk to Aquatic Plants and Animals

The acute and chronic RQ values for aquatic plants and animals are well below the LOC 
16

(10 to 1666 times lower than the LOCs; Appendix A). Thus, acibenzolar risks to aquatic 

plants and animals are lower than concern levels.

7.2 Risk to birds and mammals 

The avian acute toxicity data indicates that there were no mortalities or sub-lethal effects 

at the limit doses for acibenzolar. Thus, standard avian RQ values for acute, sub-acute, 

and chronic exposures were not calculated in the Ecological Risk Summary section of 

this assessment. This is because EFED presumes that there are not LOC exceedances for

birds based on the results of the acibenzolar avian acute toxicity test and the low 

proposed application rates. However, chronic RQs were calculated based on the most 

sensitive avian chronic toxicity NOAEC of 600 ppm and the highest proposed use rate 

(which was for turf at 10 applications of 0.0144 lbs a.i./acre). The highest chronic RQ 

value calculated was 0.02. Based on these RQ values, there are no chronic risks to birds 

that exceed the Agency’s LOC. 

Because there were no mortalities or sub-lethal effects at the highest treatment levels 

tested in the acute rat study submitted, standard RQ values for acute exposure were not 

calculated in the Risk Characterization section of this assessment. This is because EFED 

presumes that risk to mammals does not exceed the LOC based on the results of the 

acibenzolar mammalian acute toxicity test and the low proposed application rates. 

However, chronic RQs were calculated based on the most sensitive mammalian chronic 

toxicity NOEAC of 200 mg/kg/body (which was for turf at 10 applications of 0.0145 lbs 

a.i./acre). The highest RQ value calculated was 0.07. The RQ values demonstrate that 

there is no chronic risk to mammals that exceed the LOC. 

7.3 Risks to Terrestrial Plants 

Tier I seedling emergence and vegetative vigor studies demonstrated that none of the ten 

species exposed to the rate of 0.094 lb a.i./A of acibenzolar (which is higher that the 

highest proposed use rate evaluated in this assessment) were affected by 25% or greater 

when compared to the study controls for each measured parameter. Therefore, 

acibenzolar is not considered a risk to listed or non-listed terrestrial plants at the highest 

proposed use rates at concern levels of the Agency. Thus, acibenzolar terrestrial plant 

RQs were not calculated due to this presumed lack of risk to non-target terrestrial plants. 

7.4 Summary of Potential Effects to Non-target Insects

Acibenzolar was classified as practically non-toxic based on the acute contact honey bee 

study (LD50>100 μg/bee). Therefore, pollinator protection label language is not required.

8. Endocrine Disruption Potential

Acibenzolar does not appear to have significant reproductive and developmental effects 

in tested organisms which may be a result of disruption of the endocrine system. 
17

However, until such time as the Agency determines that either the parent chemical or any 

of these degradates have the potential to be an endocrine disruptor, this risk assessment 

has not included an evaluation of the relative risk of acibenzolar, degradates for 

endocrine disruption and as such is a source of uncertainty in this assessment.

9. Threatened and Endangered Species (Listed Species) Concerns

Based on available screening level information for the proposed uses of acibenzolar, 

acute and chronic LOCs for threatened and endangered species are not exceeded for 

freshwater fish and invertebrates; estuarine/marine fish and estuarine marine 

invertebrates, mollusks, aquatic plants, terrestrial mammals, insects, birds, and plants.
18

Appendix A – Risk Quotients

Table 1. Acibenzolar, parent, aquatic risk quotient calculations based use on the maximum proposed use rates on turf

Sod Grass

Scenario

Peak 

average

21 day 

average

60 day 

average

FW 

Acute 

Fish RQ 

FW Fish 

Chronic RQ

FW 

Invertebrate 

Acute RQ 

FW 

Invertebrate 

Chronic RQ 

Vascular 

Aquatic 

Plant RQ

Aquatic 

Nonvascular 

Plant RQ

CA Turf 0.01 0.001 0.001

1.14E-05 0.038 3.448E-06 2.083E-05 3.205E-05 3.03E-06

FL Turf 0.01 0.001 0.0003 1.14E-05 0.038 3.448E-06 2.083E-05 3.205E-05 3.03E-06

PA Turf 0.01 0.001 0.0003 1.14E-05 0.038 3.448E-06 2.083E-05 3.205E-05 3.03E-06

Group A Turf

Scenario

Peak 

annual 21 day 60 day

FW 

Acute 

Fish RQ 

FW Fish 

Chronic RQ

FW 

Invertebrate 

Acute RQ 

FW 

Invertebrate

Chronic RQ 

Vascular 

Aquatic 

Plant RQ

Aquatic 

Nonvascular 

Plant RQ

CA Turf 0.01 0.002 0.001 1.14E-05 0.077 3.448E-06 4.167E-05 3.205E-05 3.03E-06

FL Turf 0.01 0.001 0.001 1.14E-05 0.038 3.448E-06 2.083E-05 3.205E-05 3.03E-06

PA Turf 0.01 0.001 0.001 1.134E-05 0.038 3.448E-06 2.083E-05 3.205E-05 3.03E-06

Group B Turf: Tees

Peak 

average

21 day 

average

60 day 

average

FW 

Acute 

Fish RQ

FW Fish 

Chronic RQ

FW 

Invertebrate 

Acute RQ 

FW 

Invertebrate 

Chronic RQ 

Vascular 

Aquatic 

Plant RQ

Aquatic 

Nonvascular 

Plant RQ

CA Turf 0.01 0.002 0.002 1.14E-05 0.077 3.448E-06 4.167E-05 3.205E-05 3.03E-06

FL Turf 0.03 0.002 0.001 3.4E-05 0.077 1.034E-05 4.167E-05 9.615E-05 9.09E-06

PA Turf 0.02 0.002 0.001 2.27E-05 0.115 6.897E-06 4.167E-05 6.410E-05 6.06E-06

Group B Turf: Greens

CA Turf 1.13636E057.69231E083.44828E06 4.177E-05 3.20513E-05 3.0303E-06 1.13636E-05 7.692E-08 3.448E-06

FL Turf 4.54545E057.69231E081.37931E05 0.0000625 0.000128205 1.2121E-05 4.54545E-05 7.692E-08 1.389E-05
19

Table 2. Acibenzolar degradate, CGA-210007 (μg/L), aquatic risk quotient calculations based use on the 

maximum proposed use rates on turf

Sod Grass

Scenario

Peak 

average

21 day 

average

60 day 

average

FW 

Invertebrate 

Acute RQ 

FW 

Invertebrate 

Chronic RQ 

Aquatic 

Nonvascular 

Plant RQ

CA Turf 0.06 0.06 0.05 2.069E-05 0.001 7.490E-07

FL Turf 0.05 0.05 0.04 1.724E-05 0.001 6.242E-07

PA Turf 0.07 0.06 0.05 2.413E-05 0.001 8.739E-07

Group A Turf

Scenario

Peak annual 21 day 60 day

FW 

Invertebrate 

Acute RQ 

FW 

Invertebrate 

Chronic RQ 

Aquatic 

Nonvascular 

Plant RQ

CA Turf 0.08 0.07 0.07 2.758E-05 0.0015 9.987E-07

FL Turf 0.12 0.12 0.11 4.138E-05 0.003 1.498E-06

PA Turf 0.12 0.11 0.1 4.138E-05 0.002 1.498E-06

Group B Turf: Tees

Peak 

average

21 day 

average

60 day 

average

FW 

Invertebrate 

Acute RQ 

FW 

Invertebrate 

Chronic RQ 

Aquatic 

Nonvascular 

Plant RQ

CA Turf 0.08 0.08 0.07 2.75862E-05 0.0017 9.987E-07

FL Turf 0.24 0.22 0.19 8.27586E-05 0.0046 2.996E-06

PA Turf 0.28 0.26 0.25 9.65517E-05 0.00542 3.496E-06

Group B Turf: Greens

Peak 

average

21 day 

average

60 day 

average

FW 

Invertebrate 

Acute RQ 

FW 

Invertebrate 

Chronic RQ 

Aquatic 

Nonvascular 

Plant RQ

CA Turf 0.08 0.08 0.08 2.76E-05 0.002 9.988E-07

FL Turf 0.32 0.31 0.29 0.0001 0.006 3.995E-06

PA Turf 0.47 0.44 0.41 0.0001 0.009 5.868
20

Table 3. Avian Chronic Risk Quotient Calculations based use on the 

maximum proposed use rate on turf

Dietary-based RQs (Dietary-based 

EEC/LC50 or NOAEC)

RQs

Chronic

Short Grass 0.06

Tall Grass 0.03

Broadleaf plants/sm Insects 0.03

Fruits/pods/seeds/lg insects 0.00
21

Appendix B – Example PRZM/EXAMS Output Files

Group B (Greens): Acibenzolar, Pennsylvania Turf 

stored as ACPABTG.out

Chemical: Acibenzolar

PRZM environment: PAturfSTD.txt modified Thuday, 23 February 2006 at 18:55:08

EXAMS environment: pond298.exv modified Tueday, 26 August 2008 at 06:14:08

Metfile: w14751.dvf modified Tueday, 26 August 2008 at 06:15:00

Water segment concentrations (ppb)

Year Peak 96 hr 21 Day 60 Day 90 Day Yearly

1961 0.01244 0.005877 0.002917 0.002767 0.002158 0.0005348

1962 0.01244 0.005381 0.002635 0.002509 0.002007 0.0005084

1963 0.01244 0.005195 0.002661 0.002437 0.001944 0.0004937

1964 0.01244 0.005291 0.002819 0.002514 0.001993 0.0004946

1965 0.01244 0.005259 0.00235 0.002316 0.001849 0.0004603

1966 0.06483 0.03233 0.009181 0.004417 0.003492 0.0008989

1967 0.01345 0.007934 0.002618 0.002604 0.002175 0.0005458

1968 0.03856 0.01827 0.005695 0.003271 0.002623 0.000663

1969 0.02688 0.01252 0.004485 0.003157 0.002436 0.0006084

1970 0.01244 0.005972 0.002217 0.002235 0.001834 0.0004558

1971 0.01521 0.007674 0.003495 0.002933 0.002266 0.0005621

1972 0.01244 0.005333 0.00255 0.002355 0.001885 0.0004667

1973 0.08806 0.04271 0.0114 0.00531 0.004151 0.001063

1974 0.01389 0.008644 0.00384 0.002845 0.00222 0.0005569

1975 0.01244 0.005351 0.002595 0.002355 0.00195 0.0004889

1976 0.01244 0.005598 0.002752 0.002578 0.002116 0.0005267

1977 0.01244 0.005282 0.002472 0.002333 0.001871 0.0004662

1978 0.01244 0.006455 0.002393 0.002335 0.001953 0.0004845

1979 0.01244 0.005681 0.00313 0.002668 0.002227 0.000557

1980 0.01244 0.005104 0.00231 0.002198 0.001759 0.0004634
22

1981 0.01244 0.00538 0.002668 0.002575 0.002051 0.0005126

1982 0.01244 0.005363 0.002625 0.002451 0.001962 0.0004876

1983 0.01244 0.005161 0.002367 0.002254 0.001802 0.0004477

1984 0.01244 0.005433 0.002413 0.002305 0.001865 0.0004614

1985 0.01244 0.005747 0.002545 0.002538 0.002089 0.0005315

1986 0.02092 0.009904 0.003905 0.003019 0.00234 0.0005823

1987 0.01244 0.005128 0.002931 0.002406 0.00195 0.0004867

1988 0.01244 0.005024 0.00249 0.002323 0.001852 0.0004598

1989 0.02643 0.01213 0.004409 0.003164 0.002497 0.0006216

1990 0.01244 0.005383 0.002653 0.002478 0.001989 0.0004942

Sorted results

Prob. Peak 96 hr 21 Day 60 Day 90 Day Yearly

0.032258064516129 0.08806 0.04271 0.0114 0.00531 0.004151 0.001063

0.0645161290322581 0.06483 0.03233 0.009181 0.004417 0.003492 0.0008989

0.0967741935483871 0.03856 0.01827 0.005695 0.003271 0.002623 0.000663

0.129032258064516 0.02688 0.01252 0.004485 0.003164 0.002497 0.0006216

0.161290322580645 0.02643 0.01213 0.004409 0.003157 0.002436 0.0006084

0.193548387096774 0.02092 0.009904 0.003905 0.003019 0.00234 0.0005823

0.225806451612903 0.01521 0.008644 0.00384 0.002933 0.002266 0.0005621

0.258064516129032 0.01389 0.007934 0.003495 0.002845 0.002227 0.000557

0.290322580645161 0.01345 0.007674 0.00313 0.002767 0.00222 0.0005569

0.32258064516129 0.01244 0.006455 0.002931 0.002668 0.002175 0.0005458

0.354838709677419 0.01244 0.005972 0.002917 0.002604 0.002158 0.0005348

0.387096774193548 0.01244 0.005877 0.002819 0.002578 0.002116 0.0005315

0.419354838709677 0.01244 0.005747 0.002752 0.002575 0.002089 0.0005267

0.451612903225806 0.01244 0.005681 0.002668 0.002538 0.002051 0.0005126

0.483870967741936 0.01244 0.005598 0.002661 0.002514 0.002007 0.0005084

0.516129032258065 0.01244 0.005433 0.002653 0.002509 0.001993 0.0004946

0.548387096774194 0.01244 0.005383 0.002635 0.002478 0.001989 0.0004942

0.580645161290323 0.01244 0.005381 0.002625 0.002451 0.001962 0.0004937

0.612903225806452 0.01244 0.00538 0.002618 0.002437 0.001953 0.0004889

0.645161290322581 0.01244 0.005363 0.002595 0.002406 0.00195 0.0004876

0.67741935483871 0.01244 0.005351 0.00255 0.002355 0.00195 0.0004867

0.709677419354839 0.01244 0.005333 0.002545 0.002355 0.001944 0.0004845

0.741935483870968 0.01244 0.005291 0.00249 0.002335 0.001885 0.0004667

0.774193548387097 0.01244 0.005282 0.002472 0.002333 0.001871 0.0004662

0.806451612903226 0.01244 0.005259 0.002413 0.002323 0.001865 0.0004634
23

0.838709677419355 0.01244 0.005195 0.002393 0.002316 0.001852 0.0004614

0.870967741935484 0.01244 0.005161 0.002367 0.002305 0.001849 0.0004603

0.903225806451613 0.01244 0.005128 0.00235 0.002254 0.001834 0.0004598

0.935483870967742 0.01244 0.005104 0.00231 0.002235 0.001802 0.0004558

0.967741935483871 0.01244 0.005024 0.002217 0.002198 0.001759 0.0004477

0.1 0.037392 0.017695 0.005574 0.0032603 0.0026104 0.00065886

Average of yearly averages: 0.00054615

Inputs generated by pe5.pl - Novemeber 2006

Data used for this run:

Output File: ACPABTG

Metfile: w14751.dvf

PRZM scenario: PAturfSTD.txt

EXAMS environment file: pond298.exv

Chemical Name: Acibenzolar

Description Variable Name Value Units Comments

Molecular weight mwt 210.3 g/mol

Henry's Law Const. henry 1.26e-7 atm-m^3/mol

Vapor Pressure vapr 3.5e-6 torr

Solubility sol 7.7 mg/L

Kd Kd mg/L

Koc Koc 1893 mg/L

Photolysis half-life kdp 0.025 days Half-life

Aerobic Aquatic Metabolism kbacw 1.89 days Halfife

Anaerobic Aquatic Metabolism kbacs 11.94 days Halfife

Aerobic Soil Metabolism asm 0.66 days Halfife

Hydrolysis: pH 7 0 days Half-life

Method: CAM 2 integer See PRZM manual

Incorporation Depth: DEPI 0 cm

Application Rate: TAPP 0.025 kg/ha

Application Efficiency: APPEFF 0.99 fraction

Spray Drift DRFT 0.01 fraction of application rate applied to pond

Application Date Date 01-07 dd/mm or dd/mmm or dd-mm or dd-mmm

Interval 1 interval 14 days Set to 0 or delete line for single app.

app. rate 1 apprate 0.016 kg/ha

Interval 2 interval 7 days Set to 0 or delete line for single app.
24

app. rate 2 apprate 0.015 kg/ha

Interval 3 interval 7 days Set to 0 or delete line for single app.

app. rate 3 apprate 0.015 kg/ha

Interval 4 interval 7 days Set to 0 or delete line for single app.

app. rate 4 apprate 0.015 kg/ha

Interval 5 interval 7 days Set to 0 or delete line for single app.

app. rate 5 apprate 0.015 kg/ha

Interval 6 interval 7 days Set to 0 or delete line for single app.

app. rate 6 apprate 0.015 kg/ha

Interval 7 interval 7 days Set to 0 or delete line for single app.

app. rate 7 apprate 0.015 kg/ha

Interval 8 interval 7 days Set to 0 or delete line for single app.

app. rate 8 apprate 0.015 kg/ha

Interval 9 interval 7 days Set to 0 or delete line for single app.

app. rate 9 apprate 0.015 kg/ha

Record 17: FILTRA

IPSCND 1

UPTKF

Record 18: PLVKRT

PLDKRT

FEXTRC 0.5

Flag for Index Res. Run IR EPA Pond

Flag for runoff calc. RUNOFF none none, monthly or total(average of entire run)

Group B (Greens): CGA 210007, Pennsylvania Turf 

stored as CGAPABG.out

Chemical: CGA 2100 007

PRZM environment: PAturfSTD.txt modified Thuday, 23 February 2006 at 18:55:08

EXAMS environment: pond298.exv modified Tueday, 26 August 2008 at 06:14:08

Metfile: w14751.dvf modified Tueday, 26 August 2008 at 06:15:00

Water segment concentrations (ppb)

Year Peak 96 hr 21 Day 60 Day 90 Day Yearly

1961 0.1931 0.19 0.1781 0.1578 0.148 0.05944

1962 0.1164 0.1161 0.1149 0.1124 0.1103 0.09589
25

1963 0.09455 0.09433 0.0934 0.09138 0.08962 0.06803

1964 0.07384 0.07293 0.06957 0.06384 0.06102 0.05093

1965 0.05193 0.05181 0.05132 0.05023 0.04937 0.04146

1966 0.5869 0.5785 0.546 0.4963 0.4706 0.1563

1967 0.3932 0.392 0.3868 0.3763 0.3686 0.2949

1968 0.4914 0.4849 0.4593 0.4187 0.3982 0.2359

1969 0.4734 0.4663 0.4461 0.3984 0.3724 0.3028

1970 0.2758 0.2753 0.2729 0.2677 0.2634 0.196

1971 0.3006 0.2962 0.2798 0.2512 0.2366 0.1526

1972 0.189 0.1886 0.1866 0.1824 0.1791 0.1313

1973 0.6324 0.6232 0.5875 0.5329 0.505 0.1962

1974 0.4197 0.4184 0.4129 0.4017 0.3931 0.3253

1975 0.2832 0.2825 0.28 0.2742 0.2695 0.1977

1976 0.1604 0.1587 0.1522 0.1461 0.1418 0.1209

1977 0.1277 0.1274 0.1262 0.1234 0.1209 0.08339

1978 0.06614 0.06522 0.06157 0.05437 0.05009 0.04317

1979 0.1377 0.1359 0.1306 0.1212 0.1157 0.05329

1980 0.09918 0.0989 0.09773 0.09529 0.09337 0.0714

1981 0.08157 0.08056 0.07654 0.07349 0.07188 0.06244

1982 0.05314 0.05304 0.0526 0.05159 0.05074 0.03657

1983 0.02265 0.02261 0.02244 0.02203 0.02165 0.01544

1984 0.0111 0.01095 0.01033 0.009692 0.009536 0.008136

1985 0.06693 0.06599 0.06296 0.05784 0.05519 0.01828

1986 0.1918 0.189 0.1778 0.1579 0.1474 0.07841

1987 0.1363 0.1347 0.1289 0.1214 0.1171 0.09373

1988 0.1137 0.1118 0.1047 0.0988 0.0969 0.0824

1989 0.2498 0.246 0.2312 0.2087 0.1979 0.1066

1990 0.1585 0.158 0.156 0.1516 0.1481 0.1168

Sorted results

Prob. Peak 96 hr 21 Day 60 Day 90 Day Yearly

0.032258064516129 0.6324 0.6232 0.5875 0.5329 0.505 0.3253

0.0645161290322581 0.5869 0.5785 0.546 0.4963 0.4706 0.3028

0.0967741935483871 0.4914 0.4849 0.4593 0.4187 0.3982 0.2949

0.129032258064516 0.4734 0.4663 0.4461 0.4017 0.3931 0.2359

0.161290322580645 0.4197 0.4184 0.4129 0.3984 0.3724 0.1977

0.193548387096774 0.3932 0.392 0.3868 0.3763 0.3686 0.1962

0.225806451612903 0.3006 0.2962 0.28 0.2742 0.2695 0.196
26

0.258064516129032 0.2832 0.2825 0.2798 0.2677 0.2634 0.1563

0.290322580645161 0.2758 0.2753 0.2729 0.2512 0.2366 0.1526

0.32258064516129 0.2498 0.246 0.2312 0.2087 0.1979 0.1313

0.354838709677419 0.1931 0.19 0.1866 0.1824 0.1791 0.1209

0.387096774193548 0.1918 0.189 0.1781 0.1579 0.1481 0.1168

0.419354838709677 0.189 0.1886 0.1778 0.1578 0.148 0.1066

0.451612903225806 0.1604 0.1587 0.156 0.1516 0.1474 0.09589

0.483870967741936 0.1585 0.158 0.1522 0.1461 0.1418 0.09373

0.516129032258065 0.1377 0.1359 0.1306 0.1234 0.1209 0.08339

0.548387096774194 0.1363 0.1347 0.1289 0.1214 0.1171 0.0824

0.580645161290323 0.1277 0.1274 0.1262 0.1212 0.1157 0.07841

0.612903225806452 0.1164 0.1161 0.1149 0.1124 0.1103 0.0714

0.645161290322581 0.1137 0.1118 0.1047 0.0988 0.0969 0.06803

0.67741935483871 0.09918 0.0989 0.09773 0.09529 0.09337 0.06244

0.709677419354839 0.09455 0.09433 0.0934 0.09138 0.08962 0.05944

0.741935483870968 0.08157 0.08056 0.07654 0.07349 0.07188 0.05329

0.774193548387097 0.07384 0.07293 0.06957 0.06384 0.06102 0.05093

0.806451612903226 0.06693 0.06599 0.06296 0.05784 0.05519 0.04317

0.838709677419355 0.06614 0.06522 0.06157 0.05437 0.05074 0.04146

0.870967741935484 0.05314 0.05304 0.0526 0.05159 0.05009 0.03657

0.903225806451613 0.05193 0.05181 0.05132 0.05023 0.04937 0.01828

0.935483870967742 0.02265 0.02261 0.02244 0.02203 0.02165 0.01544

0.967741935483871 0.0111 0.01095 0.01033 0.009692 0.009536 0.008136

0.1 0.4896 0.48304 0.45798 0.417 0.39769 0.289

Average of yearly averages: 0.116523533333333

Inputs generated by pe5.pl - Novemeber 2006

Data used for this run:

Output File: CGAPABG

Metfile: w14751.dvf

PRZM scenario: PAturfSTD.txt

EXAMS environment file: pond298.exv

Chemical Name: CGA 2100 007

Description Variable Name Value Units Comments

Molecular weight mwt 180.2 g/mol

Henry's Law Const. henry 3.42e-11 atm-m^3/mol
27

Vapor Pressure vapr 2.73e-7 torr

Solubility sol 225 mg/L

Kd Kd mg/L

Koc Koc 138 mg/L

Photolysis half-life kdp 0 days Half-life

Aerobic Aquatic Metabolism kbacw 99 days Halfife

Anaerobic Aquatic Metabolism kbacs 0 days Halfife

Aerobic Soil Metabolism asm 49.5 days Halfife

Hydrolysis: pH 7 0 days Half-life

Method: CAM 1 integer See PRZM manual

Incorporation Depth: DEPI 0 cm

Application Rate: TAPP 0.022 kg/ha

Application Efficiency: APPEFF 1 fraction

Spray Drift DRFT 0 fraction of application rate applied to pond

Application Date Date 01-07 dd/mm or dd/mmm or dd-mm or dd-mmm

Interval 1 interval 14 days Set to 0 or delete line for single app.

app. rate 1 apprate 0.014 kg/ha

Interval 2 interval 7 days Set to 0 or delete line for single app.

app. rate 2 apprate 0.014 kg/ha

Interval 3 interval 7 days Set to 0 or delete line for single app.

app. rate 3 apprate 0.013 kg/ha

Interval 4 interval 7 days Set to 0 or delete line for single app.

app. rate 4 apprate 0.013 kg/ha

Interval 5 interval 7 days Set to 0 or delete line for single app.

app. rate 5 apprate 0.013 kg/ha

Interval 6 interval 7 days Set to 0 or delete line for single app.

app. rate 6 apprate 0.013 kg/ha

Interval 7 interval 7 days Set to 0 or delete line for single app.

app. rate 7 apprate 0.013 kg/ha

Interval 8 interval 7 days Set to 0 or delete line for single app.

app. rate 8 apprate 0.013 kg/ha

Interval 9 interval 7 days Set to 0 or delete line for single app.

app. rate 9 apprate 0.013 kg/ha

Record 17: FILTRA

IPSCND 1

UPTKF

Record 18: PLVKRT

PLDKRT
28

FEXTRC 0.5

Flag for Index Res. Run IR EPA Pond

Flag for runoff calc. RUNOFF none none, monthly or total(average of entire run)

Group B (Tees): Acibenzolar, California Turf 

stored as ACCABT.out

Chemical: Acibenzolar

PRZM environment: CATurfRLF.txt modified Tueday, 20 February 2007 at 13:03:48

EXAMS environment: pond298.exv modified Tueday, 26 August 2008 at 06:14:08

Metfile: w23234.dvf modified Tueday, 26 August 2008 at 06:15:38

Water segment concentrations (ppb)

Year Peak 96 hr 21 Day 60 Day 90 Day Yearly

1961 0.01244 0.006934 0.003016 0.002721 0.001835 0.0004536

1962 0.01244 0.007155 0.003034 0.002797 0.001886 0.0004666

1963 0.01244 0.00695 0.003411 0.003072 0.002074 0.0005131

1964 0.01244 0.006871 0.003118 0.002799 0.00189 0.0004662

1965 0.01244 0.00707 0.003399 0.00297 0.002004 0.000496

1966 0.01244 0.00705 0.003006 0.002753 0.001855 0.000459

1967 0.01244 0.007073 0.003777 0.003147 0.00212 0.0005245

1968 0.01244 0.006806 0.003024 0.002724 0.001837 0.0004531

1969 0.01244 0.006751 0.003139 0.002758 0.001857 0.0004592

1970 0.01244 0.006495 0.003033 0.002655 0.001787 0.000442

1971 0.01244 0.006942 0.003188 0.002881 0.001945 0.0004812

1972 0.01244 0.006758 0.003052 0.002745 0.00185 0.0004563

1973 0.01244 0.007063 0.002903 0.002701 0.001818 0.0004495

1974 0.01244 0.007159 0.003076 0.002819 0.001899 0.0004698

1975 0.01512 0.008627 0.003479 0.003125 0.002104 0.0005204

1976 0.01244 0.006939 0.003186 0.00282 0.001899 0.0004683

1977 0.01244 0.006822 0.003105 0.002783 0.001878 0.0004648

1978 0.01244 0.006922 0.003333 0.002825 0.001899 0.0004696

1979 0.01244 0.007056 0.003136 0.002804 0.001886 0.0004662

1980 0.01244 0.006739 0.003153 0.002811 0.001896 0.0004679

1981 0.01244 0.007009 0.002938 0.002713 0.001826 0.0004515

1982 0.01244 0.00716 0.003246 0.002901 0.001955 0.0004837
29

1983 0.01244 0.007195 0.00325 0.002891 0.001947 0.0004813

1984 0.01244 0.006542 0.002921 0.002569 0.001727 0.0004257

1985 0.01244 0.006963 0.002945 0.00273 0.001838 0.0004543

1986 0.01244 0.006644 0.003015 0.002694 0.001814 0.0004486

1987 0.01244 0.006897 0.002915 0.002671 0.001797 0.0004442

1988 0.01244 0.006412 0.003185 0.002703 0.001819 0.0004484

1989 0.01244 0.007021 0.002879 0.002671 0.001797 0.0004442

1990 0.01244 0.006887 0.003002 0.002736 0.001843 0.0004556

Sorted results

Prob. Peak 96 hr 21 Day 60 Day 90 Day Yearly

0.032258064516129 0.01512 0.008627 0.003777 0.003147 0.00212 0.0005245

0.0645161290322581 0.01244 0.007195 0.003479 0.003125 0.002104 0.0005204

0.0967741935483871 0.01244 0.00716 0.003411 0.003072 0.002074 0.0005131

0.129032258064516 0.01244 0.007159 0.003399 0.00297 0.002004 0.000496

0.161290322580645 0.01244 0.007155 0.003333 0.002901 0.001955 0.0004837

0.193548387096774 0.01244 0.007073 0.00325 0.002891 0.001947 0.0004813

0.225806451612903 0.01244 0.00707 0.003246 0.002881 0.001945 0.0004812

0.258064516129032 0.01244 0.007063 0.003188 0.002825 0.001899 0.0004698

0.290322580645161 0.01244 0.007056 0.003186 0.00282 0.001899 0.0004696

0.32258064516129 0.01244 0.00705 0.003185 0.002819 0.001899 0.0004683

0.354838709677419 0.01244 0.007021 0.003153 0.002811 0.001896 0.0004679

0.387096774193548 0.01244 0.007009 0.003139 0.002804 0.00189 0.0004666

0.419354838709677 0.01244 0.006963 0.003136 0.002799 0.001886 0.0004662

0.451612903225806 0.01244 0.00695 0.003118 0.002797 0.001886 0.0004662

0.483870967741936 0.01244 0.006942 0.003105 0.002783 0.001878 0.0004648

0.516129032258065 0.01244 0.006939 0.003076 0.002758 0.001857 0.0004592

0.548387096774194 0.01244 0.006934 0.003052 0.002753 0.001855 0.000459

0.580645161290323 0.01244 0.006922 0.003034 0.002745 0.00185 0.0004563

0.612903225806452 0.01244 0.006897 0.003033 0.002736 0.001843 0.0004556

0.645161290322581 0.01244 0.006887 0.003024 0.00273 0.001838 0.0004543

0.67741935483871 0.01244 0.006871 0.003016 0.002724 0.001837 0.0004536

0.709677419354839 0.01244 0.006822 0.003015 0.002721 0.001835 0.0004531

0.741935483870968 0.01244 0.006806 0.003006 0.002713 0.001826 0.0004515

0.774193548387097 0.01244 0.006758 0.003002 0.002703 0.001819 0.0004495

0.806451612903226 0.01244 0.006751 0.002945 0.002701 0.001818 0.0004486

0.838709677419355 0.01244 0.006739 0.002938 0.002694 0.001814 0.0004484

0.870967741935484 0.01244 0.006644 0.002921 0.002671 0.001797 0.0004442
30

0.903225806451613 0.01244 0.006542 0.002915 0.002671 0.001797 0.0004442

0.935483870967742 0.01244 0.006495 0.002903 0.002655 0.001787 0.000442

0.967741935483871 0.01244 0.006412 0.002879 0.002569 0.001727 0.0004257

0.1 0.01244 0.0071599 0.0034098 0.0030618 0.002067 0.00051139

Average of yearly averages: 0.00046616

Inputs generated by pe5.pl - Novemeber 2006

Data used for this run:

Output File: ACCABT

Metfile: w23234.dvf

PRZM scenario: CATurfRLF.txt

EXAMS environment file: pond298.exv

Chemical Name: Acibenzolar

Description Variable Name Value Units Comments

Molecular weight mwt 210.3 g/mol

Henry's Law Const. henry 1.26e-7 atm-m^3/mol

Vapor Pressure vapr 3.5e-6 torr

Solubility sol 7.7 mg/L

Kd Kd mg/L

Koc Koc 1893 mg/L

Photolysis half-life kdp 0.025 days Half-life

Aerobic Aquatic Metabolism kbacw 1.89 days Halfife

Anaerobic Aquatic Metabolism kbacs 11.94 days Halfife

Aerobic Soil Metabolism asm 0.66 days Halfife

Hydrolysis: pH 7 0 days Half-life

Method: CAM 2 integer See PRZM manual

Incorporation Depth: DEPI 0 cm

Application Rate: TAPP 0.025 kg/ha

Application Efficiency: APPEFF 0.99 fraction

Spray Drift DRFT 0.01 fraction of application rate applied to pond

Application Date Date 21-03 dd/mm or dd/mmm or dd-mm or dd-mmm

Interval 1 interval 14 days Set to 0 or delete line for single app.

app. rate 1 apprate 0.016 kg/ha

Interval 2 interval 7 days Set to 0 or delete line for single app.

app. rate 2 apprate 0.015 kg/ha

Interval 3 interval 7 days Set to 0 or delete line for single app.
31

app. rate 3 apprate 0.015 kg/ha

Interval 4 interval 7 days Set to 0 or delete line for single app.

app. rate 4 apprate 0.015 kg/ha

Interval 5 interval 7 days Set to 0 or delete line for single app.

app. rate 5 apprate 0.015 kg/ha

Interval 6 interval 7 days Set to 0 or delete line for single app.

app. rate 6 apprate 0.015 kg/ha

Record 17: FILTRA

IPSCND 1

UPTKF

Record 18: PLVKRT

PLDKRT

FEXTRC 0.5

Flag for Index Res. Run IR EPA Pond

Flag for runoff calc. RUNOFF none none, monthly or total(average of entire run)

Group A (Turf): CGA-210007, Florida Turf 

stored as CGAFLAT.out

Chemical: CGA 2100 007

PRZM environment: FLturfSTD.txt modified Tueday, 21 February 2006 at 15:38:26

EXAMS environment: pond298.exv modified Tueday, 26 August 2008 at 06:14:08

Metfile: w12834.dvf modified Tueday, 26 August 2008 at 06:14:18

Water segment concentrations (ppb)

Year Peak 96 hr 21 Day 60 Day 90 Day Yearly

1961 0.04606 0.04512 0.04158 0.03573 0.03254 0.01035

1962 0.07838 0.07689 0.07153 0.06266 0.05806 0.02586

1963 0.04446 0.04417 0.04298 0.04061 0.03873 0.02379

1964 0.2485 0.2438 0.2253 0.1963 0.18 0.05928

1965 0.124 0.1233 0.1201 0.1131 0.1078 0.0638

1966 0.03018 0.02964 0.02759 0.02408 0.0231 0.01865

1967 0.074 0.07269 0.0676 0.05895 0.05427 0.02224

1968 0.05092 0.05003 0.04663 0.04214 0.0395 0.02936

1969 0.1891 0.1854 0.1721 0.1488 0.1374 0.05588

1970 0.1043 0.1037 0.1013 0.09598 0.09162 0.05176
32

1971 0.02845 0.02793 0.02592 0.02423 0.02295 0.01543

1972 0.07855 0.07702 0.07113 0.06066 0.05768 0.02621

1973 0.0449 0.0446 0.04334 0.04083 0.03885 0.02677

1974 0.07074 0.06935 0.06453 0.05667 0.05242 0.02325

1975 0.08913 0.08767 0.08156 0.07052 0.06466 0.03523

1976 0.08302 0.08153 0.07575 0.06653 0.06178 0.03821

1977 0.07583 0.07442 0.06891 0.06105 0.05678 0.0382

1978 0.03875 0.03855 0.03776 0.03608 0.03471 0.02253

1979 0.06473 0.06347 0.05925 0.05235 0.04804 0.02148

1980 0.03293 0.03273 0.0319 0.03022 0.02889 0.01671

1981 0.03992 0.03918 0.0363 0.0314 0.02879 0.01191

1982 0.02033 0.0202 0.01969 0.0185 0.01754 0.0103

1983 0.02351 0.02307 0.02138 0.01927 0.01794 0.007505

1984 0.05088 0.0499 0.04635 0.04031 0.03717 0.01599

1985 0.03435 0.03374 0.03199 0.02799 0.02569 0.01955

1986 0.01905 0.01894 0.01849 0.01745 0.01663 0.01198

1987 0.009787 0.009734 0.009517 0.009024 0.008632 0.005165

1988 0.005189 0.00509 0.004706 0.00409 0.003908 0.002293

1989 0.02116 0.02085 0.01955 0.01725 0.01511 0.005192

1990 0.02599 0.02547 0.02348 0.02004 0.01823 0.01105

Sorted results

Prob. Peak 96 hr 21 Day 60 Day 90 Day Yearly

0.032258064516129 0.2485 0.2438 0.2253 0.1963 0.18 0.0638

0.0645161290322581 0.1891 0.1854 0.1721 0.1488 0.1374 0.05928

0.0967741935483871 0.124 0.1233 0.1201 0.1131 0.1078 0.05588

0.129032258064516 0.1043 0.1037 0.1013 0.09598 0.09162 0.05176

0.161290322580645 0.08913 0.08767 0.08156 0.07052 0.06466 0.03821

0.193548387096774 0.08302 0.08153 0.07575 0.06653 0.06178 0.0382

0.225806451612903 0.07855 0.07702 0.07153 0.06266 0.05806 0.03523

0.258064516129032 0.07838 0.07689 0.07113 0.06105 0.05768 0.02936

0.290322580645161 0.07583 0.07442 0.06891 0.06066 0.05678 0.02677

0.32258064516129 0.074 0.07269 0.0676 0.05895 0.05427 0.02621

0.354838709677419 0.07074 0.06935 0.06453 0.05667 0.05242 0.02586

0.387096774193548 0.06473 0.06347 0.05925 0.05235 0.04804 0.02379

0.419354838709677 0.05092 0.05003 0.04663 0.04214 0.0395 0.02325

0.451612903225806 0.05088 0.0499 0.04635 0.04083 0.03885 0.02253

0.483870967741936 0.04606 0.04512 0.04334 0.04061 0.03873 0.02224
33

0.516129032258065 0.0449 0.0446 0.04298 0.04031 0.03717 0.02148

0.548387096774194 0.04446 0.04417 0.04158 0.03608 0.03471 0.01955

0.580645161290323 0.03992 0.03918 0.03776 0.03573 0.03254 0.01865

0.612903225806452 0.03875 0.03855 0.0363 0.0314 0.02889 0.01671

0.645161290322581 0.03435 0.03374 0.03199 0.03022 0.02879 0.01599

0.67741935483871 0.03293 0.03273 0.0319 0.02799 0.02569 0.01543

0.709677419354839 0.03018 0.02964 0.02759 0.02423 0.0231 0.01198

0.741935483870968 0.02845 0.02793 0.02592 0.02408 0.02295 0.01191

0.774193548387097 0.02599 0.02547 0.02348 0.02004 0.01823 0.01105

0.806451612903226 0.02351 0.02307 0.02138 0.01927 0.01794 0.01035

0.838709677419355 0.02116 0.02085 0.01969 0.0185 0.01754 0.0103

0.870967741935484 0.02033 0.0202 0.01955 0.01745 0.01663 0.007505

0.903225806451613 0.01905 0.01894 0.01849 0.01725 0.01511 0.005192

0.935483870967742 0.009787 0.009734 0.009517 0.009024 0.008632 0.005165

0.967741935483871 0.005189 0.00509 0.004706 0.00409 0.003908 0.002293

0.1 0.12203 0.12134 0.11822 0.111388 0.106182 0.055468

Average of yearly averages: 0.0241975

Inputs generated by pe5.pl - Novemeber 2006

Data used for this run:

Output File: CGAFLAT

Metfile: w12834.dvf

PRZM scenario: FLturfSTD.txt

EXAMS environment file: pond298.exv

Chemical Name: CGA 2100 007

Description Variable Name Value Units Comments

Molecular weight mwt 180.2 g/mol

Henry's Law Const. henry 3.42e-11 atm-m^3/mol

Vapor Pressure vapr 2.73e-7 torr

Solubility sol 225 mg/L

Kd Kd mg/L

Koc Koc 138 mg/L

Photolysis half-life kdp 0 days Half-life

Aerobic Aquatic Metabolism kbacw 99 days Halfife

Anaerobic Aquatic Metabolism kbacs 0 days Halfife

Aerobic Soil Metabolism asm 49.5 days Halfife
34

Hydrolysis: pH 7 0 days Half-life

Method: CAM 1 integer See PRZM manual

Incorporation Depth: DEPI 0 cm

Application Rate: TAPP 0.022 kg/ha

Application Efficiency: APPEFF 1 fraction

Spray Drift DRFT 0 fraction of application rate applied to pond

Application Date Date 20-08 dd/mm or dd/mmm or dd-mm or dd-mmm

Interval 1 interval 14 days Set to 0 or delete line for single app.

app. rate 1 apprate 0.014 kg/ha

Interval 2 interval 7 days Set to 0 or delete line for single app.

app. rate 2 apprate 0.014 kg/ha

Record 17: FILTRA

IPSCND 1

UPTKF

Record 18: PLVKRT

PLDKRT

FEXTRC 0.5

Flag for Index Res. Run IR EPA Pond

Flag for runoff calc. RUNOFF none none, monthly or total(average of entire run)

Appendix – EPI Suite Output File

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

------------------------------ EPI SUMMARY (v3.20) --------------------------

Physical Property Inputs:

 Water Solubility (mg/L): 225

 Vapor Pressure (mm Hg) : ------

 Henry LC (atm-m3/mole) : ------
35

 Log Kow (octanol-water): ------

 Boiling Point (deg C) : ------

 Melting Point (deg C) : ------

KOWWIN Program (v1.67) Results:

===============================

 Log Kow(version 1.67 estimate): 1.23

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

-------+-----+--------------------------------------------+---------+--------

TYPE | NUM | LOGKOW FRAGMENT DESCRIPTION | COEFF | VALUE 

-------+-----+--------------------------------------------+---------+--------

Frag | 6 | Aromatic Carbon | 0.2940 | 1.7640

Frag | 1 | -COOH [acid, aromatic attach] |-0.1186 | -0.1186

Frag | 1 | Aromatic Sulfur | 0.4082 | 0.4082

Frag | 2 | Aromatic Nitrogen [5-member ring] |-0.5262 | -1.0524

Const | | Equation Constant | | 0.2290

-------+-----+--------------------------------------------+---------+--------

 Log Kow = 1.2302

MPBPWIN (v1.42) Program Results:

===============================

Experimental Database Structure Match: no data

SMILES : n1nc2cccc(C(=O)O)c2s1
36

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

------------------------ SUMMARY MPBPWIN v1.42 --------------------

Boiling Point: 382.78 deg C (Adapted Stein and Brown Method)

Melting Point: 349.84 deg C (Adapted Joback Method)

Melting Point: 109.84 deg C (Gold and Ogle Method)

Mean Melt Pt : 229.84 deg C (Joback; Gold,Ogle Methods)

 Selected MP: 157.84 deg C (Weighted Value)

Vapor Pressure Estimations (25 deg C):

 (Using BP: 382.78 deg C (estimated))

 (Using MP: 157.84 deg C (estimated))

 VP: 2.73E-007 mm Hg (Antoine Method)

 VP: 9.48E-007 mm Hg (Modified Grain Method)

 VP: 2.14E-006 mm Hg (Mackay Method)

 Selected VP: 9.48E-007 mm Hg (Modified Grain Method)

 Subcooled liquid VP: 2.17E-005 mm Hg (25 deg C, Mod-Grain method)

-------+-----+--------------------+----------+---------

TYPE | NUM | BOIL DESCRIPTION | COEFF | VALUE 

-------+-----+--------------------+----------+---------

Group | 1 | -COOH (acid) | 169.83 | 169.83

Group | 1 | -S- (ring) | 69.00 | 69.00

Group | 3 | CH (aromatic) | 28.53 | 85.59

Group | 1 | -C (aromatic) | 30.76 | 30.76

Group | 2 | C (3a aromatic) | 45.46 | 90.92

Group | 2 | N (aromatic) | 39.88 | 79.76
37

Corr | 1 | Other aaN-aaN | 55.00 | 55.00

 * | | Equation Constant | | 198.18

=============+====================+==========+=========

RESULT-uncorr| BOILING POINT in deg Kelvin | 779.04

RESULT- corr | BOILING POINT in deg Kelvin | 655.94

 | BOILING POINT in deg C | 382.78

-------------------------------------------------------

-------+-----+--------------------+----------+---------

TYPE | NUM | MELT DESCRIPTION | COEFF | VALUE 

-------+-----+--------------------+----------+---------

Group | 1 | -COOH (acid) | 155.50 | 155.50

Group | 1 | -S- (ring) | 73.93 | 73.93

Group | 3 | CH (aromatic) | 8.13 | 24.39

Group | 1 | -C (aromatic) | 37.02 | 37.02

Group | 2 | C (3a aromatic) | 37.02 | 74.04

Group | 2 | N (aromatic) | 68.40 | 136.80

 * | | Equation Constant | | 122.50

=============+====================+==========+=========

 RESULT | MELTING POINT in deg Kelvin | 624.18

RESULT-limit| MELTING POINT in deg Kelvin | 623.00

 | MELTING POINT in deg C | 349.84

-------------------------------------------------------

Water Sol from Kow (WSKOW v1.41) Results:

========================================

 Water Sol: 4891 mg/L
38

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

---------------------------------- WSKOW v1.41 Results ------------------------

Log Kow (estimated) : 1.23 

Log Kow (experimental): not available from database

Log Kow used by Water solubility estimates: 1.23

Equation Used to Make Water Sol estimate:

 Log S (mol/L) = 0.796 - 0.854 log Kow - 0.00728 MW + Correction

 (used when Melting Point NOT available)

 Correction(s): Value

 -------------------- -----

 Acid, aromatic 0.000

 Log Water Solubility (in moles/L) : -1.566

 Water Solubility at 25 deg C (mg/L): 4891

WATERNT Program (v1.01) Results:

===============================

 Water Sol (v1.01 est): 5163.9 mg/L

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18
39

-------+-----+--------------------------------------------+----------+---------

TYPE | NUM | WATER SOLUBILITY FRAGMENT DESCRIPTION | COEFF | VALUE 

-------+-----+--------------------------------------------+----------+---------

Frag | 3 | Aromatic Carbon (C-H type) |-0.3359 | -1.0076

Frag | 1 | -COOH [acid, aromatic attach] | 0.0568 | 0.0568

Frag | 1 | Aromatic Sulfur |-0.2743 | -0.2743

Frag | 3 | Aromatic Carbon (C-substituent type) |-0.5400 | -1.6199

Frag | 2 | Aromatic Nitrogen [5-member ring] | 0.5265 | 1.0530

Const | | Equation Constant | | 0.2492

-------+-----+--------------------------------------------+----------+---------

 Log Water Sol (moles/L) at 25 dec C = -1.5427

 Water Solubility (mg/L) at 25 dec C = 5163.9

ECOSAR Program (v0.99h) Results:

===============================

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

CAS Num: 

ChemID1: 

ChemID2: 

ChemID3: 

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

Log Kow: 1.23 (KowWin estimate)

Melt Pt: 

Wat Sol: 225 mg/L (measured)

ECOSAR v0.99h Class(es) Found

------------------------------
40

Neutral Organics-acid

 Predicted

ECOSAR Class Organism Duration End Pt mg/L (ppm)

=========================== ================== ======== ====== ==========

Neutral Organic SAR : Fish 14-day LC50 1133.395 *

(Baseline Toxicity)

--> Acid moeity found: Predicted values multiplied by 10

Neutral Organics-acid : Fish 96-hr LC50 7071.494 *

Neutral Organics-acid : Fish 14-day LC50 11333.946 *

Neutral Organics-acid : Daphnid 48-hr LC50 7184.741 *

Neutral Organics-acid : Green Algae 96-hr EC50 4296.958 *

Neutral Organics-acid : Fish 30-day ChV 804.658 *

Neutral Organics-acid : Daphnid 16-day EC50 263.094 *

Neutral Organics-acid : Green Algae 96-hr ChV 275.354 *

Neutral Organics-acid : Fish (SW) 96-hr LC50 1116.378 *

Neutral Organics-acid : Mysid Shrimp 96-hr LC50 3533.550 *

 mg/kg (ppm)

dry wt soil

 ===========

Neutral Organics-acid : Earthworm 14-day LC50 19136.879 *

Note: * = asterisk designates: Chemical may not be soluble

 enough to measure this predicted effect.

 Fish and daphnid acute toxicity log Kow cutoff: 5.0

 Green algal EC50 toxicity log Kow cutoff: 6.4

 Chronic toxicity log Kow cutoff: 8.0
41

 MW cutoff: 1000

HENRY (v3.10) Program Results:

=============================

 Bond Est : 3.42E-011 atm-m3/mole

 Group Est: Incomplete

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

--------------------------- HENRYWIN v3.10 Results --------------------------

----------+---------------------------------------------+---------+----------

 CLASS | BOND CONTRIBUTION DESCRIPTION | COMMENT | VALUE

----------+---------------------------------------------+---------+----------

HYDROGEN | 3 Hydrogen to Carbon (aromatic) Bonds | | -0.4629

HYDROGEN | 1 Hydrogen to Oxygen Bonds | | 3.2318

FRAGMENT | 6 Car-Car | | 1.5828

FRAGMENT | 1 Car-CO | | 1.2387

FRAGMENT | 1 Car-Nar | | 1.6282

FRAGMENT | 1 Nar-Nar | ESTIMATE| 3.0000

FRAGMENT | 1 CO-O | | 0.0714

FRAGMENT | 1 Car-Sar | | 0.3739

FRAGMENT | 1 Nar-Sar | ESTIMATE| 0.6900

FACTOR | 1 Additional aromatic nitrogen(s) | | -2.5000

----------+---------------------------------------------+---------+----------

RESULT | BOND ESTIMATION METHOD for LWAPC VALUE | TOTAL | 8.854
42

----------+---------------------------------------------+---------+----------

HENRYs LAW CONSTANT at 25 deg C = 3.42E-011 atm-m3/mole

 = 1.40E-009 unitless

--------+-----------------------------------------------+------------+--------

 | GROUP CONTRIBUTION DESCRIPTION | COMMENT | VALUE 

--------+-----------------------------------------------+------------+--------

 | 1 Car (Nar)(Car)(Car) | ESTIMATE | -0.10

 | 3 Car-H (Car)(Car) | | 0.33

 | 1 Car (Car)(Car)(CO) | | -0.84

 | 1 CO (O)(Car) | | 4.57

 | 1 O-H (CO) | | 1.45

 | MISSING Value for: Nar (Sar)(Nar)

 | MISSING Value for: Nar (Car)(Nar)

 | MISSING Value for: Car (Car)(Sar)(Car)

 | MISSING Value for: Sar (Nar)(Car)

--------+-----------------------------------------------+------------+--------

RESULT | GROUP ESTIMATION METHOD for LOG GAMMA VALUE | INCOMPLETE | 5.41

--------+-----------------------------------------------+------------+--------

Henrys LC [VP/WSol estimate using EPI values]:

 HLC: 9.989E-010 atm-m3/mole

 VP: 9.48E-007 mm Hg

 WS: 225 mg/L

Log Octanol-Air (KOAWIN v1.10) Results:

======================================
43

 Log Koa: 10.084

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

--------------------------- KOAWIN v1.10 Results --------------------------

Log Koa (octanol/air) estimate: 10.084

 Koa (octanol/air) estimate: 1.215e+010

Using:

 Log Kow: 1.23 (KowWin est)

 HenryLC: 3.42e-011 atm-m3/mole (HenryWin est)

 Log Kaw: -8.854 (air/water part.coef.)

LogKow : ---- (exp database)

LogKow : 1.23 (KowWin estimate)

Henry LC: --- atm-m3/mole(exp database)

Henry LC: 3.42e-011 atm-m3/mole (HenryWin bond estimate)

Log Koa (octanol/air) estimate: 10.084 (from KowWin/HenryWin)

BIOWIN (v4.10) Program Results:

==============================

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

--------------------------- BIOWIN v4.10 Results ----------------------------
44

 Biowin1 (Linear Model Prediction) : Biodegrades Fast

 Biowin2 (Non-Linear Model Prediction): Biodegrades Fast

 Biowin3 (Ultimate Biodegradation Timeframe): Weeks

 Biowin4 (Primary Biodegradation Timeframe): Days-Weeks

 Biowin5 (MITI Linear Model Prediction) : Biodegrades Fast

 Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast

 Biowin7 (Anaerobic Model Prediction): Biodegrades Fast

 Ready Biodegradability Prediction: YES

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin1 FRAGMENT DESCRIPTION | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Aromatic acid [-C(=O)-OH] | 0.1769 | 0.1769

MolWt| * | Molecular Weight Parameter | | -0.0858

Const| * | Equation Constant | | 0.7475

============+============================================+=========+=========

 RESULT | Biowin1 (Linear Biodeg Probability) | | 0.8386

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin2 FRAGMENT DESCRIPTION | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Aromatic acid [-C(=O)-OH] | 2.4224 | 2.4224

MolWt| * | Molecular Weight Parameter | | -2.5586

============+============================================+=========+=========

 RESULT | Biowin2 (Non-Linear Biodeg Probability) | | 0.9465

============+============================================+=========+=========

A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast

A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast
45

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin3 FRAGMENT DESCRIPTION | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Aromatic acid [-C(=O)-OH] | 0.0879 | 0.0879

MolWt| * | Molecular Weight Parameter | | -0.3982

Const| * | Equation Constant | | 3.1992

============+============================================+=========+=========

 RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | | 2.8889

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin4 FRAGMENT DESCRIPTION | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Aromatic acid [-C(=O)-OH] | 0.0077 | 0.0077

MolWt| * | Molecular Weight Parameter | | -0.2600

Const| * | Equation Constant | | 3.8477

============+============================================+=========+=========

 RESULT | Biowin4 (Survey Model - Primary Biodeg) | | 3.5955

============+============================================+=========+=========

Result Classification: 5.00 -> hours 4.00 -> days 3.00 -> weeks

 (Primary & Ultimate) 2.00 -> months 1.00 -> longer

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin5 FRAGMENT DESCRIPTION | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Aromatic acid [-C(=O)-OH] | 0.3770 | 0.3770

Frag | 3 | Aromatic-H | 0.0082 | 0.0247

MolWt| * | Molecular Weight Parameter | | -0.5360

Const| * | Equation Constant | | 0.7121
46

============+============================================+=========+=========

 RESULT | Biowin5 (MITI Linear Biodeg Probability) | | 0.5777

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin6 FRAGMENT DESCRIPTION | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Aromatic acid [-C(=O)-OH] | 2.4449 | 2.4449

Frag | 3 | Aromatic-H | 0.1201 | 0.3604

MolWt| * | Molecular Weight Parameter | | -5.2016

============+============================================+=========+=========

 RESULT |Biowin6 (MITI Non-Linear Biodeg Probability)| | 0.5323

============+============================================+=========+=========

A Probability Greater Than or Equal to 0.5 indicates --> Readily Degradable

A Probability Less Than 0.5 indicates --> NOT Readily Degradable

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin7 FRAGMENT DESCRIPTION | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Aromatic acid [-C(=O)-OH] | 0.2656 | 0.2656

Frag | 3 | Aromatic-H | -0.0954 | -0.2863

Const| * | Equation Constant | | 0.8361

============+============================================+=========+=========

 RESULT | Biowin7 (Anaerobic Linear Biodeg Prob) | | 0.8154

============+============================================+=========+=========

A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast

A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast
47

BioHCwin (v1.01) Program Results:

==============================

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

-------------------------- BioHCwin v1.01 Results ---------------------------

 NO Estimate Possible ... Structure NOT a Hydrocarbon

 (Contains atoms other than C, H or S (-S-))

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

 Vapor pressure (liquid/subcooled): 0.00289 Pa (2.17E-005 mm Hg)

 Log Koa (Koawin est ): 10.084

 Kp (particle/gas partition coef. (m3/ug)):

 Mackay model : 0.00104 

 Octanol/air (Koa) model: 0.00298 

 Fraction sorbed to airborne particulates (phi):

 Junge-Pankow model : 0.0361 

 Mackay model : 0.0766 

 Octanol/air (Koa) model: 0.192 

AOP Program (v1.92) Results:

===========================

SMILES : n1nc2cccc(C(=O)O)c2s1
48

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

------------------- SUMMARY (AOP v1.92): HYDROXYL RADICALS -------------------

Hydrogen Abstraction = 0.0000 E-12 cm3/molecule-sec

Reaction with N, S and -OH = 0.5200 E-12 cm3/molecule-sec

Addition to Triple Bonds = 0.0000 E-12 cm3/molecule-sec

Addition to Olefinic Bonds = 0.0000 E-12 cm3/molecule-sec

Addition to Aromatic Rings = 0.0000 E-12 cm3/molecule-sec

**Addition to Fused Rings = 2.5919 E-12 cm3/molecule-sec

 OVERALL OH Rate Constant = 3.1119 E-12 cm3/molecule-sec

 HALF-LIFE = 3.437 Days (12-hr day; 1.5E6 OH/cm3)

 HALF-LIFE = 41.246 Hrs

........................ ** Designates Estimation(s) Using ASSUMED Value(s)

------------------- SUMMARY (AOP v1.91): OZONE REACTION ----------------------

 ****** NO OZONE REACTION ESTIMATION ******

 (ONLY Olefins and Acetylenes are Estimated)

Experimental Database: NO Structure Matches

Fraction sorbed to airborne particulates (phi): 0.0563 (Junge,Mackay)

 Note: the sorbed fraction may be resistant to atmospheric oxidation

PCKOC Program (v1.66) Results:

=============================

 Koc (estimated): 10
49

 Koc may be sensitive to pH!

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

--------------------------- PCKOCWIN v1.66 Results ---------------------------

 First Order Molecular Connectivity Index ........... : 5.788

 Non-Corrected Log Koc .............................. : 3.7009

 Fragment Correction(s):

 * Organic Acid (-CO-OH) ............... : -1.7512

 1 Aromatic ring with 2 nitrogens ....... : -0.9650

 Corrected Log Koc .................................. : 0.9847

 Over Correction Adjustment to Lower Limit Log Koc ... : 1.0000

 Estimated Koc: 10 

 NOTE:

 The Koc of this structure may be sensitive to pH! The estimated

 Koc represents a best-fit to the majority of experimental values;

 however, the Koc may vary significantly with pH.

HYDROWIN Program (v1.67) Results:

================================

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 
50

MOL WT : 180.18

--------------------------- HYDROWIN v1.67 Results ---------------------------

Currently, this program can NOT estimate a hydrolysis rate constant for

 the type of chemical structure entered!!

ONLY Esters, Carbamates, Epoxides, Halomethanes (containing 1-3 halogens)

 and Specific Alkyl Halides can be estimated!! For more information,

 (Click OVERVIEW in Help or see the User's Guide)

 ***** CALCULATION NOT PERFORMED *****

BCF Program (v2.17) Results:

===========================

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

--------------------------------- Bcfwin v2.17 --------------------------------

Log Kow (estimated) : 1.23 

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 1.23

Equation Used to Make BCF estimate:

 Log BCF = 0.50 (Ionic; Log Kow dependent)

 Estimated Log BCF = 0.500 (BCF = 3.162)
51

 Volatilization From Water 

 ========================= 

Chemical Name: CGA 210007

Molecular Weight : 180.18 g/mole 

Water Solubility : 225 ppm 

Vapor Pressure : -----

Henry's Law Constant: 3.42E-011 atm-m3/mole (estimated by Bond SAR Method) 

 RIVER LAKE 

 --------- ---------

Water Depth (meters): 1 1 

Wind Velocity (m/sec): 5 0.5 

Current Velocity (m/sec): 1 0.05 

 HALF-LIFE (hours) : 2.298E+007 2.507E+008 

 HALF-LIFE (days ) : 9.575E+005 1.045E+007 

 HALF-LIFE (years) : 2621 2.86E+004 

STP Fugacity Model: Predicted Fate in a Wastewater Treatment Facility

======================================================================

 (using 10000 hr Bio P,A,S)

PROPERTIES OF: CGA 210007

-------------

Molecular weight (g/mol) 180.18 
52

Aqueous solubility (mg/l) 225 

Vapour pressure (Pa) 0 

 (atm) 0 

 (mm Hg) 0 

Henry 's law constant (Atm-m3/mol) 3.42E-011 

Air-water partition coefficient 1.39868E-009 

Octanol-water partition coefficient (Kow) 16.9824 

Log Kow 1.23 

Biomass to water partition coefficient 4.19649 

Temperature [deg C] 25 

Biodeg rate constants (h^-1),half life in biomass (h) and in 2000 mg/L MLSS (h):

 -Primary tank 0.01 83.23 10000.00

 -Aeration tank 0.01 83.23 10000.00

 -Settling tank 0.01 83.23 10000.00

STP Overall Chemical Mass Balance:

---------------------------------

 g/h mol/h percent

Influent 1.00E+001 5.6E-002 100.00

Primary sludge 2.90E-002 1.6E-004 0.29

Waste sludge 1.53E-001 8.5E-004 1.53

Primary volatilization 1.86E-008 1.0E-010 0.00

Settling volatilization 5.08E-008 2.8E-010 0.00

Aeration off gas 1.25E-007 6.9E-010 0.00

Primary biodegradation 1.77E-003 9.8E-006 0.02

Settling biodegradation 5.30E-004 2.9E-006 0.01

Aeration biodegradation 6.98E-003 3.9E-005 0.07
53

Final water effluent 9.81E+000 5.4E-002 98.09

Total removal 1.91E-001 1.1E-003 1.91

Total biodegradation 9.27E-003 5.1E-005 0.09

Level III Fugacity Model (Full-Output):

=======================================

 Chem Name : CGA 210007

 Molecular Wt: 180.18

 Henry's LC : 3.42e-011 atm-m3/mole (Henrywin program)

 Vapor Press : 9.48e-007 mm Hg (Mpbpwin program)

 Liquid VP : 1.95e-005 mm Hg (super-cooled)

 Melting Pt : 158 deg C (Mpbpwin program)

 Log Kow : 1.23 (Kowwin program)

 Soil Koc : 6.96 (calc by model)

 Mass Amount Half-Life Emissions

 (percent) (hr) (kg/hr)

 Air 0.00078 82.5 1000 

 Water 32.4 360 1000 

 Soil 67.5 720 1000 

 Sediment 0.0688 3.24e+003 0 

 Fugacity Reaction Advection Reaction Advection

 (atm) (kg/hr) (kg/hr) (percent) (percent)

 Air 1.9e-014 0.123 0.146 0.0041 0.00488 

 Water 5.77e-016 1.17e+003 608 39 20.3 

 Soil 2.86e-014 1.22e+003 0 40.7 0 

 Sediment 5.25e-016 0.276 0.0258 0.00921 0.000861 
54

 Persistence Time: 626 hr

 Reaction Time: 785 hr

 Advection Time: 3.09e+003 hr

 Percent Reacted: 79.7

 Percent Advected: 20.3

 Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):

 Air: 82.49

 Water: 360

 Soil: 720

 Sediment: 3240

 Biowin estimate: 2.889 (weeks )

 Advection Times (hr):

 Air: 100

 Water: 1000

 Sediment: 5e+004

------------------------------------------------------------------------------

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

------------------------------ EPI SUMMARY (v3.20) --------------------------

Physical Property Inputs:

 Water Solubility (mg/L): 225

 Vapor Pressure (mm Hg) : ------

 Henry LC (atm-m3/mole) : ------
55

 Log Kow (octanol-water): ------

 Boiling Point (deg C) : ------

 Melting Point (deg C) : ------

KOWWIN Program (v1.67) Results:

===============================

 Log Kow(version 1.67 estimate): 1.23

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

-------+-----+--------------------------------------------+---------+--------

TYPE | NUM | LOGKOW FRAGMENT DESCRIPTION | COEFF | VALUE 

-------+-----+--------------------------------------------+---------+--------

Frag | 6 | Aromatic Carbon | 0.2940 | 1.7640

Frag | 1 | -COOH [acid, aromatic attach] |-0.1186 | -0.1186

Frag | 1 | Aromatic Sulfur | 0.4082 | 0.4082

Frag | 2 | Aromatic Nitrogen [5-member ring] |-0.5262 | -1.0524

Const | | Equation Constant | | 0.2290

-------+-----+--------------------------------------------+---------+--------

 Log Kow = 1.2302

MPBPWIN (v1.42) Program Results:

===============================

Experimental Database Structure Match: no data

SMILES : n1nc2cccc(C(=O)O)c2s1
56

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

------------------------ SUMMARY MPBPWIN v1.42 --------------------

Boiling Point: 382.78 deg C (Adapted Stein and Brown Method)

Melting Point: 349.84 deg C (Adapted Joback Method)

Melting Point: 109.84 deg C (Gold and Ogle Method)

Mean Melt Pt : 229.84 deg C (Joback; Gold,Ogle Methods)

 Selected MP: 157.84 deg C (Weighted Value)

Vapor Pressure Estimations (25 deg C):

 (Using BP: 382.78 deg C (estimated))

 (Using MP: 157.84 deg C (estimated))

 VP: 2.73E-007 mm Hg (Antoine Method)

 VP: 9.48E-007 mm Hg (Modified Grain Method)

 VP: 2.14E-006 mm Hg (Mackay Method)

 Selected VP: 9.48E-007 mm Hg (Modified Grain Method)

Subcooled liquid VP: 2.17E-005 mm Hg (25 deg C, Mod-Grain method)

-------+-----+--------------------+----------+---------

TYPE | NUM | BOIL DESCRIPTION | COEFF | VALUE 

-------+-----+--------------------+----------+---------

Group | 1 | -COOH (acid) | 169.83 | 169.83

Group | 1 | -S- (ring) | 69.00 | 69.00

Group | 3 | CH (aromatic) | 28.53 | 85.59

Group | 1 | -C (aromatic) | 30.76 | 30.76

Group | 2 | C (3a aromatic) | 45.46 | 90.92

Group | 2 | N (aromatic) | 39.88 | 79.76
57

Corr | 1 | Other aaN-aaN | 55.00 | 55.00

 * | | Equation Constant | | 198.18

=============+====================+==========+=========

RESULT-uncorr| BOILING POINT in deg Kelvin | 779.04

RESULT- corr | BOILING POINT in deg Kelvin | 655.94

 | BOILING POINT in deg C | 382.78

-------------------------------------------------------

-------+-----+--------------------+----------+---------

TYPE | NUM | MELT DESCRIPTION | COEFF | VALUE 

-------+-----+--------------------+----------+---------

Group | 1 | -COOH (acid) | 155.50 | 155.50

Group | 1 | -S- (ring) | 73.93 | 73.93

Group | 3 | CH (aromatic) | 8.13 | 24.39

Group | 1 | -C (aromatic) | 37.02 | 37.02

Group | 2 | C (3a aromatic) | 37.02 | 74.04

Group | 2 | N (aromatic) | 68.40 | 136.80

 * | | Equation Constant | | 122.50

=============+====================+==========+=========

 RESULT | MELTING POINT in deg Kelvin | 624.18

RESULT-limit| MELTING POINT in deg Kelvin | 623.00

 | MELTING POINT in deg C | 349.84

-------------------------------------------------------

Water Sol from Kow (WSKOW v1.41) Results:

========================================

 Water Sol: 4891 mg/L
58

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

---------------------------------- WSKOW v1.41 Results ------------------------

Log Kow (estimated) : 1.23 

Log Kow (experimental): not available from database

Log Kow used by Water solubility estimates: 1.23

Equation Used to Make Water Sol estimate:

 Log S (mol/L) = 0.796 - 0.854 log Kow - 0.00728 MW + Correction

 (used when Melting Point NOT available)

 Correction(s): Value

 -------------------- -----

 Acid, aromatic 0.000

 Log Water Solubility (in moles/L) : -1.566

 Water Solubility at 25 deg C (mg/L): 4891

WATERNT Program (v1.01) Results:

===============================

 Water Sol (v1.01 est): 5163.9 mg/L

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18
59

-------+-----+--------------------------------------------+----------+---------

TYPE | NUM | WATER SOLUBILITY FRAGMENT DESCRIPTION | COEFF | VALUE 

-------+-----+--------------------------------------------+----------+---------

Frag | 3 | Aromatic Carbon (C-H type) |-0.3359 | -1.0076

Frag | 1 | -COOH [acid, aromatic attach] | 0.0568 | 0.0568

Frag | 1 | Aromatic Sulfur |-0.2743 | -0.2743

Frag | 3 | Aromatic Carbon (C-substituent type) |-0.5400 | -1.6199

Frag | 2 | Aromatic Nitrogen [5-member ring] | 0.5265 | 1.0530

Const | | Equation Constant | | 0.2492

-------+-----+--------------------------------------------+----------+---------

 Log Water Sol (moles/L) at 25 dec C = -1.5427

 Water Solubility (mg/L) at 25 dec C = 5163.9

ECOSAR Program (v0.99h) Results:

===============================

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

CAS Num: 

ChemID1: 

ChemID2: 

ChemID3: 

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

Log Kow: 1.23 (KowWin estimate)

Melt Pt: 

Wat Sol: 225 mg/L (measured)

ECOSAR v0.99h Class(es) Found

------------------------------
60

Neutral Organics-acid

 Predicted

ECOSAR Class Organism Duration End Pt mg/L (ppm)

=========================== ================== ======== ====== ==========

Neutral Organic SAR : Fish 14-day LC50 1133.395 *

(Baseline Toxicity)

--> Acid moeity found: Predicted values multiplied by 10

Neutral Organics-acid : Fish 96-hr LC50 7071.494 *

Neutral Organics-acid : Fish 14-day LC50 11333.946 *

Neutral Organics-acid : Daphnid 48-hr LC50 7184.741 *

Neutral Organics-acid : Green Algae 96-hr EC50 4296.958 *

Neutral Organics-acid : Fish 30-day ChV 804.658 *

Neutral Organics-acid : Daphnid 16-day EC50 263.094 *

Neutral Organics-acid : Green Algae 96-hr ChV 275.354 *

Neutral Organics-acid : Fish (SW) 96-hr LC50 1116.378 *

Neutral Organics-acid : Mysid Shrimp 96-hr LC50 3533.550 *

 mg/kg (ppm)

dry wt soil

 ===========

Neutral Organics-acid : Earthworm 14-day LC50 19136.879 *

Note: * = asterisk designates: Chemical may not be soluble

 enough to measure this predicted effect.

 Fish and daphnid acute toxicity log Kow cutoff: 5.0

 Green algal EC50 toxicity log Kow cutoff: 6.4

 Chronic toxicity log Kow cutoff: 8.0
61

 MW cutoff: 1000

HENRY (v3.10) Program Results:

=============================

 Bond Est : 3.42E-011 atm-m3/mole

 Group Est: Incomplete

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

--------------------------- HENRYWIN v3.10 Results --------------------------

----------+---------------------------------------------+---------+----------

 CLASS | BOND CONTRIBUTION DESCRIPTION | COMMENT | VALUE

----------+---------------------------------------------+---------+----------

HYDROGEN | 3 Hydrogen to Carbon (aromatic) Bonds | | -0.4629

HYDROGEN | 1 Hydrogen to Oxygen Bonds | | 3.2318

FRAGMENT | 6 Car-Car | | 1.5828

FRAGMENT | 1 Car-CO | | 1.2387

FRAGMENT | 1 Car-Nar | | 1.6282

FRAGMENT | 1 Nar-Nar | ESTIMATE| 3.0000

FRAGMENT | 1 CO-O | | 0.0714

FRAGMENT | 1 Car-Sar | | 0.3739

FRAGMENT | 1 Nar-Sar | ESTIMATE| 0.6900

FACTOR | 1 Additional aromatic nitrogen(s) | | -2.5000

----------+---------------------------------------------+---------+----------

RESULT | BOND ESTIMATION METHOD for LWAPC VALUE | TOTAL | 8.854
62

----------+---------------------------------------------+---------+----------

HENRYs LAW CONSTANT at 25 deg C = 3.42E-011 atm-m3/mole

 = 1.40E-009 unitless

--------+-----------------------------------------------+------------+--------

 | GROUP CONTRIBUTION DESCRIPTION | COMMENT | VALUE 

--------+-----------------------------------------------+------------+--------

 | 1 Car (Nar)(Car)(Car) | ESTIMATE | -0.10

 | 3 Car-H (Car)(Car) | | 0.33

 | 1 Car (Car)(Car)(CO) | | -0.84

 | 1 CO (O)(Car) | | 4.57

 | 1 O-H (CO) | | 1.45

 | MISSING Value for: Nar (Sar)(Nar)

 | MISSING Value for: Nar (Car)(Nar)

 | MISSING Value for: Car (Car)(Sar)(Car)

 | MISSING Value for: Sar (Nar)(Car)

--------+-----------------------------------------------+------------+--------

RESULT | GROUP ESTIMATION METHOD for LOG GAMMA VALUE | INCOMPLETE | 5.41

--------+-----------------------------------------------+------------+--------

Henrys LC [VP/WSol estimate using EPI values]:

 HLC: 9.989E-010 atm-m3/mole

 VP: 9.48E-007 mm Hg

 WS: 225 mg/L

Log Octanol-Air (KOAWIN v1.10) Results:

======================================
63

 Log Koa: 10.084

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

--------------------------- KOAWIN v1.10 Results --------------------------

Log Koa (octanol/air) estimate: 10.084

 Koa (octanol/air) estimate: 1.215e+010

Using:

 Log Kow: 1.23 (KowWin est)

 HenryLC: 3.42e-011 atm-m3/mole (HenryWin est)

 Log Kaw: -8.854 (air/water part.coef.)

LogKow : ---- (exp database)

LogKow : 1.23 (KowWin estimate)

Henry LC: --- atm-m3/mole(exp database)

Henry LC: 3.42e-011 atm-m3/mole (HenryWin bond estimate)

Log Koa (octanol/air) estimate: 10.084 (from KowWin/HenryWin)

BIOWIN (v4.10) Program Results:

==============================

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

--------------------------- BIOWIN v4.10 Results ----------------------------
64

 Biowin1 (Linear Model Prediction) : Biodegrades Fast

 Biowin2 (Non-Linear Model Prediction): Biodegrades Fast

 Biowin3 (Ultimate Biodegradation Timeframe): Weeks

 Biowin4 (Primary Biodegradation Timeframe): Days-Weeks

 Biowin5 (MITI Linear Model Prediction) : Biodegrades Fast

 Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast

 Biowin7 (Anaerobic Model Prediction): Biodegrades Fast

 Ready Biodegradability Prediction: YES

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin1 FRAGMENT DESCRIPTION | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Aromatic acid [-C(=O)-OH] | 0.1769 | 0.1769

MolWt| * | Molecular Weight Parameter | | -0.0858

Const| * | Equation Constant | | 0.7475

============+============================================+=========+=========

 RESULT | Biowin1 (Linear Biodeg Probability) | | 0.8386

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin2 FRAGMENT DESCRIPTION | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Aromatic acid [-C(=O)-OH] | 2.4224 | 2.4224

MolWt| * | Molecular Weight Parameter | | -2.5586

============+============================================+=========+=========

 RESULT | Biowin2 (Non-Linear Biodeg Probability) | | 0.9465

============+============================================+=========+=========

A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast

A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast
65

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin3 FRAGMENT DESCRIPTION | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Aromatic acid [-C(=O)-OH] | 0.0879 | 0.0879

MolWt| * | Molecular Weight Parameter | | -0.3982

Const| * | Equation Constant | | 3.1992

============+============================================+=========+=========

 RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | | 2.8889

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin4 FRAGMENT DESCRIPTION | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Aromatic acid [-C(=O)-OH] | 0.0077 | 0.0077

MolWt| * | Molecular Weight Parameter | | -0.2600

Const| * | Equation Constant | | 3.8477

============+============================================+=========+=========

 RESULT | Biowin4 (Survey Model - Primary Biodeg) | | 3.5955

============+============================================+=========+=========

Result Classification: 5.00 -> hours 4.00 -> days 3.00 -> weeks

 (Primary & Ultimate) 2.00 -> months 1.00 -> longer

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin5 FRAGMENT DESCRIPTION | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Aromatic acid [-C(=O)-OH] | 0.3770 | 0.3770

Frag | 3 | Aromatic-H | 0.0082 | 0.0247

MolWt| * | Molecular Weight Parameter | | -0.5360

Const| * | Equation Constant | | 0.7121
66

============+============================================+=========+=========

 RESULT | Biowin5 (MITI Linear Biodeg Probability) | | 0.5777

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin6 FRAGMENT DESCRIPTION | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Aromatic acid [-C(=O)-OH] | 2.4449 | 2.4449

Frag | 3 | Aromatic-H | 0.1201 | 0.3604

MolWt| * | Molecular Weight Parameter | | -5.2016

============+============================================+=========+=========

 RESULT |Biowin6 (MITI Non-Linear Biodeg Probability)| | 0.5323

============+============================================+=========+=========

A Probability Greater Than or Equal to 0.5 indicates --> Readily Degradable

A Probability Less Than 0.5 indicates --> NOT Readily Degradable

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin7 FRAGMENT DESCRIPTION | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Aromatic acid [-C(=O)-OH] | 0.2656 | 0.2656

Frag | 3 | Aromatic-H | -0.0954 | -0.2863

Const| * | Equation Constant | | 0.8361

============+============================================+=========+=========

 RESULT | Biowin7 (Anaerobic Linear Biodeg Prob) | | 0.8154

============+============================================+=========+=========

A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast

A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast
67

BioHCwin (v1.01) Program Results:

==============================

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

-------------------------- BioHCwin v1.01 Results ---------------------------

 NO Estimate Possible ... Structure NOT a Hydrocarbon

 (Contains atoms other than C, H or S (-S-))

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

 Vapor pressure (liquid/subcooled): 0.00289 Pa (2.17E-005 mm Hg)

 Log Koa (Koawin est ): 10.084

 Kp (particle/gas partition coef. (m3/ug)):

 Mackay model : 0.00104 

 Octanol/air (Koa) model: 0.00298 

 Fraction sorbed to airborne particulates (phi):

 Junge-Pankow model : 0.0361 

 Mackay model : 0.0766 

 Octanol/air (Koa) model: 0.192 

AOP Program (v1.92) Results:

===========================

SMILES : n1nc2cccc(C(=O)O)c2s1
68

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

------------------- SUMMARY (AOP v1.92): HYDROXYL RADICALS -------------------

Hydrogen Abstraction = 0.0000 E-12 cm3/molecule-sec

Reaction with N, S and -OH = 0.5200 E-12 cm3/molecule-sec

Addition to Triple Bonds = 0.0000 E-12 cm3/molecule-sec

Addition to Olefinic Bonds = 0.0000 E-12 cm3/molecule-sec

Addition to Aromatic Rings = 0.0000 E-12 cm3/molecule-sec

**Addition to Fused Rings = 2.5919 E-12 cm3/molecule-sec

 OVERALL OH Rate Constant = 3.1119 E-12 cm3/molecule-sec

 HALF-LIFE = 3.437 Days (12-hr day; 1.5E6 OH/cm3)

 HALF-LIFE = 41.246 Hrs

........................ ** Designates Estimation(s) Using ASSUMED Value(s)

------------------- SUMMARY (AOP v1.91): OZONE REACTION ----------------------

 ****** NO OZONE REACTION ESTIMATION ******

 (ONLY Olefins and Acetylenes are Estimated)

Experimental Database: NO Structure Matches

Fraction sorbed to airborne particulates (phi): 0.0563 (Junge,Mackay)

 Note: the sorbed fraction may be resistant to atmospheric oxidation

PCKOC Program (v1.66) Results:

=============================

 Koc (estimated): 10
69

 Koc may be sensitive to pH!

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

--------------------------- PCKOCWIN v1.66 Results ---------------------------

 First Order Molecular Connectivity Index ........... : 5.788

 Non-Corrected Log Koc .............................. : 3.7009

 Fragment Correction(s):

 * Organic Acid (-CO-OH) ............... : -1.7512

 1 Aromatic ring with 2 nitrogens ....... : -0.9650

 Corrected Log Koc .................................. : 0.9847

 Over Correction Adjustment to Lower Limit Log Koc ... : 1.0000

 Estimated Koc: 10 

 NOTE:

 The Koc of this structure may be sensitive to pH! The estimated

 Koc represents a best-fit to the majority of experimental values;

 however, the Koc may vary significantly with pH.

HYDROWIN Program (v1.67) Results:

================================

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 
70

MOL WT : 180.18

--------------------------- HYDROWIN v1.67 Results ---------------------------

Currently, this program can NOT estimate a hydrolysis rate constant for

 the type of chemical structure entered!!

ONLY Esters, Carbamates, Epoxides, Halomethanes (containing 1-3 halogens)

 and Specific Alkyl Halides can be estimated!! For more information,

 (Click OVERVIEW in Help or see the User's Guide)

 ***** CALCULATION NOT PERFORMED *****

BCF Program (v2.17) Results:

===========================

SMILES : n1nc2cccc(C(=O)O)c2s1

CHEM : CGA 210007

MOL FOR: C7 H4 N2 O2 S1 

MOL WT : 180.18

--------------------------------- Bcfwin v2.17 --------------------------------

Log Kow (estimated) : 1.23 

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 1.23

Equation Used to Make BCF estimate:

 Log BCF = 0.50 (Ionic; Log Kow dependent)

 Estimated Log BCF = 0.500 (BCF = 3.162)
71

 Volatilization From Water 

 ========================= 

Chemical Name: CGA 210007

Molecular Weight : 180.18 g/mole 

Water Solubility : 225 ppm 

Vapor Pressure : -----

Henry's Law Constant: 3.42E-011 atm-m3/mole (estimated by Bond SAR Method) 

 RIVER LAKE 

 --------- ---------

Water Depth (meters): 1 1 

Wind Velocity (m/sec): 5 0.5 

Current Velocity (m/sec): 1 0.05 

 HALF-LIFE (hours) : 2.298E+007 2.507E+008 

 HALF-LIFE (days ) : 9.575E+005 1.045E+007 

 HALF-LIFE (years) : 2621 2.86E+004 

STP Fugacity Model: Predicted Fate in a Wastewater Treatment Facility

======================================================================

 (using 10000 hr Bio P,A,S)

PROPERTIES OF: CGA 210007

-------------

Molecular weight (g/mol) 180.18 
72

Aqueous solubility (mg/l) 225 

Vapour pressure (Pa) 0 

 (atm) 0 

 (mm Hg) 0 

Henry 's law constant (Atm-m3/mol) 3.42E-011 

Air-water partition coefficient 1.39868E-009 

Octanol-water partition coefficient (Kow) 16.9824 

Log Kow 1.23 

Biomass to water partition coefficient 4.19649 

Temperature [deg C] 25 

Biodeg rate constants (h^-1),half life in biomass (h) and in 2000 mg/L MLSS (h):

 -Primary tank 0.01 83.23 10000.00

 -Aeration tank 0.01 83.23 10000.00

 -Settling tank 0.01 83.23 10000.00

STP Overall Chemical Mass Balance:

---------------------------------

 g/h mol/h percent

Influent 1.00E+001 5.6E-002 100.00

Primary sludge 2.90E-002 1.6E-004 0.29

Waste sludge 1.53E-001 8.5E-004 1.53

Primary volatilization 1.86E-008 1.0E-010 0.00

Settling volatilization 5.08E-008 2.8E-010 0.00

Aeration off gas 1.25E-007 6.9E-010 0.00

Primary biodegradation 1.77E-003 9.8E-006 0.02

Settling biodegradation 5.30E-004 2.9E-006 0.01

Aeration biodegradation 6.98E-003 3.9E-005 0.07
73

Final water effluent 9.81E+000 5.4E-002 98.09

Total removal 1.91E-001 1.1E-003 1.91

Total biodegradation 9.27E-003 5.1E-005 0.09

Level III Fugacity Model (Full-Output):

=======================================

 Chem Name : CGA 210007

 Molecular Wt: 180.18

 Henry's LC : 3.42e-011 atm-m3/mole (Henrywin program)

 Vapor Press : 9.48e-007 mm Hg (Mpbpwin program)

 Liquid VP : 1.95e-005 mm Hg (super-cooled)

 Melting Pt : 158 deg C (Mpbpwin program)

 Log Kow : 1.23 (Kowwin program)

 Soil Koc : 6.96 (calc by model)

 Mass Amount Half-Life Emissions

 (percent) (hr) (kg/hr)

 Air 0.00078 82.5 1000 

 Water 32.4 360 1000 

 Soil 67.5 720 1000 

 Sediment 0.0688 3.24e+003 0 

 Fugacity Reaction Advection Reaction Advection

 (atm) (kg/hr) (kg/hr) (percent) (percent)

 Air 1.9e-014 0.123 0.146 0.0041 0.00488 

 Water 5.77e-016 1.17e+003 608 39 20.3 

 Soil 2.86e-014 1.22e+003 0 40.7 0 

 Sediment 5.25e-016 0.276 0.0258 0.00921 0.000861 
74

 Persistence Time: 626 hr

 Reaction Time: 785 hr

 Advection Time: 3.09e+003 hr

 Percent Reacted: 79.7

 Percent Advected: 20.3

 Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):

 Air: 82.49

 Water: 360

 Soil: 720

 Sediment: 3240

 Biowin estimate: 2.889 (weeks )

 Advection Times (hr):

 Air: 100

 Water: 1000

 Sediment: 5e+004

------------------------------------------------------------------------------